N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline

C49H58N2 — CID 67447245

IUPACN-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(NC(C)c3cccc4ccccc34)c(C(C)C)c2)cc(C(C)C)c1NC(C)c1cccc2ccccc12
InChIInChI=1S/C49H58N2/c1-30(2)44-26-36(27-45(31(3)4)48(44)50-34(9)40-23-15-19-38-17-11-13-21-42(38)40)25-37-28-46(32(5)6)49(47(29-37)33(7)8)51-35(10)41-24-16-20-39-18-12-14-22-43(39)41/h11-24,26-35,50-51H,25H2,1-10H3
InChIKeyMYZSJBCZGQGHMN-UHFFFAOYSA-N
MW675.02 g/mol
LogP14.42
Rot. Bonds12

About N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline

N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline (PubChem CID 67447245) has the molecular formula C49H58N2 and a molecular weight of 675.02 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
PubChem CID67447245
Molecular FormulaC49H58N2
Molecular Weight675.02 g/mol
Exact Mass674.46
IUPAC NameN-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
SMILESCC(C)c1cc(Cc2cc(C(C)C)c(NC(C)c3cccc4ccccc34)c(C(C)C)c2)cc(C(C)C)c1NC(C)c1cccc2ccccc12
InChIInChI=1S/C49H58N2/c1-30(2)44-26-36(27-45(31(3)4)48(44)50-34(9)40-23-15-19-38-17-11-13-21-42(38)40)25-37-28-46(32(5)6)49(47(29-37)33(7)8)51-35(10)41-24-16-20-39-18-12-14-22-43(39)41/h11-24,26-35,50-51H,25H2,1-10H3
InChIKeyMYZSJBCZGQGHMN-UHFFFAOYSA-N
XLogP14.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.02
LogP ≤ 514.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline with MolForge

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Related Compounds

1-naphthalen-2-yl-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 57253252
3-bromo-5-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 107582351
2,5-dibromo-N-(1-naphthalen-1-ylethyl)aniline
CID 43736721
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
2-methyl-N-(1-naphthalen-1-ylethyl)aniline
CID 43103327
(1S)-N-(1-naphthalen-1-ylethyl)-1-phenylethanamine
CID 78956224
butane;1-propan-2-ylnaphthalene
CID 157253186
2-[1-[4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylanilino]ethyl]phenol
CID 59364866
2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohepta-2,4,6-trien-1-one
CID 15066371
lithium bis[[(1S)-1-naphthalen-1-ylethyl]amino]azanide
CID 177413049
2-N-[(1R)-1-anthracen-9-ylethyl]-6-chloro-4-N-[(1R)-1-naphthalen-1-ylethyl]-1,3,5-triazine-2,4-diamine
CID 10577433
(1S)-1-(2-methoxyphenyl)-N-[(1R)-1-naphthalen-1-ylethyl]ethanamine
CID 101003205

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline (CID 67447245) is N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cc(Cc2cc(C(C)C)c(NC(C)c3cccc4ccccc34)c(C(C)C)c2)cc(C(C)C)c1NC(C)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline?
The InChIKey is MYZSJBCZGQGHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H58N2/c1-30(2)44-26-36(27-45(31(3)4)48(44)50-34(9)40-23-15-19-38-17-11-13-21-42(38)40)25-37-28-46(32(5)6)49(47(29-37)33(7)8)51-35(10)41-24-16-20-39-18-12-14-22-43(39)41/h11-24,26-35,50-51H,25H2,1-10H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline?
N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 675.02 g/mol, XLogP of 14.42, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-4-[[4-(1-naphthalen-1-ylethylamino)-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 67447245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).