N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine

C28H30N2 — CID 130243752

IUPACN-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine
SMILESCCNCc1cccc2c(CNCC(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C28H30N2/c1-2-29-19-24-15-9-18-27-25(16-10-17-26(24)27)20-30-21-28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,28-30H,2,19-21H2,1H3
InChIKeyDXHDZRZQUYFHPO-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.87
Rot. Bonds9

About N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine

N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine (PubChem CID 130243752) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine.

Molecular Properties

Compound NameN-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine
PubChem CID130243752
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC NameN-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine
SMILESCCNCc1cccc2c(CNCC(c3ccccc3)c3ccccc3)cccc12
InChIInChI=1S/C28H30N2/c1-2-29-19-24-15-9-18-27-25(16-10-17-26(24)27)20-30-21-28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,28-30H,2,19-21H2,1H3
InChIKeyDXHDZRZQUYFHPO-UHFFFAOYSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
2-[(naphthalen-1-ylmethylamino)methyl]butan-1-ol
CID 115250859
2-(ethylaminomethyl)phenol
CID 12995218
3-(ethylamino)-2-methyl-N-(naphthalen-1-ylmethyl)propanamide
CID 62839648
(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
1-(ethylamino)-4,4-diphenylbutan-2-ol
CID 21411045
N-[2-(ethylaminomethyl)phenyl]-2-hydroxy-2-phenylacetamide
CID 43809215
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
N-[[2-(2-methylpropyl)phenyl]methyl]ethanamine
CID 63887722
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
N-[(2-phenylsulfanylphenyl)methyl]ethanamine
CID 21402704

Frequently Asked Questions

What is the IUPAC name of N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine?
The IUPAC name of N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine (CID 130243752) is N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine.
What is the SMILES notation for N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine?
The canonical SMILES for N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine is CCNCc1cccc2c(CNCC(c3ccccc3)c3ccccc3)cccc12.
What is the InChIKey of N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine?
The InChIKey is DXHDZRZQUYFHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-2-29-19-24-15-9-18-27-25(16-10-17-26(24)27)20-30-21-28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,28-30H,2,19-21H2,1H3.
What are the key properties of N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine?
N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine has a molecular weight of 394.56 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(ethylaminomethyl)naphthalen-1-yl]methyl]-2,2-diphenylethanamine is sourced from PubChem (CID 130243752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).