N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine

C24H29N — CID 141084626

IUPACN-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine
SMILESCCCCCC(C)(C)Nc1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C24H29N/c1-4-5-11-18-24(2,3)25-23-21-15-10-9-14-20(21)16-17-22(23)19-12-7-6-8-13-19/h6-10,12-17,25H,4-5,11,18H2,1-3H3
InChIKeyJSKAAOMXCPLXRS-UHFFFAOYSA-N
MW331.50 g/mol
LogP7.28
Rot. Bonds7

About N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine

N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine (PubChem CID 141084626) has the molecular formula C24H29N and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine
PubChem CID141084626
Molecular FormulaC24H29N
Molecular Weight331.50 g/mol
Exact Mass331.23
IUPAC NameN-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine
SMILESCCCCCC(C)(C)Nc1c(-c2ccccc2)ccc2ccccc12
InChIInChI=1S/C24H29N/c1-4-5-11-18-24(2,3)25-23-21-15-10-9-14-20(21)16-17-22(23)19-12-7-6-8-13-19/h6-10,12-17,25H,4-5,11,18H2,1-3H3
InChIKeyJSKAAOMXCPLXRS-UHFFFAOYSA-N
XLogP7.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyltridecan-2-yl)aniline
CID 67784312
heptane;phenanthrene
CID 157482146
N-benzyl-2-methyltridecan-2-amine;hydrochloride
CID 173095705
1-N-naphthalen-1-yl-2-N-[2-(naphthalen-1-ylamino)-3,6-diphenylphenyl]-3,6-diphenylbenzene-1,2-diamine
CID 175869356
N-benzyl-2-methylnonan-2-amine
CID 54410414
2-methyl-N-(2-phenylpropan-2-yl)nonadecan-2-amine
CID 19606660
2-phenyl-1-(2-phenylnaphthalen-1-yl)sulfanylnaphthalene
CID 68507510
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
1,1'-biphenyl;hexadecane
CID 173308514
1,2-diphenylnaphthalene
CID 11208267
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-2-phenylnaphthalen-1-amine
CID 68968877
trimethyl-[(2-phenylnaphthalen-1-yl)methyl]azanium iodide
CID 175857721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine?
The IUPAC name of N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine (CID 141084626) is N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine.
What is the SMILES notation for N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine?
The canonical SMILES for N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine is CCCCCC(C)(C)Nc1c(-c2ccccc2)ccc2ccccc12.
What is the InChIKey of N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine?
The InChIKey is JSKAAOMXCPLXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N/c1-4-5-11-18-24(2,3)25-23-21-15-10-9-14-20(21)16-17-22(23)19-12-7-6-8-13-19/h6-10,12-17,25H,4-5,11,18H2,1-3H3.
What are the key properties of N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine?
N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine has a molecular weight of 331.50 g/mol, XLogP of 7.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylheptan-2-yl)-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 141084626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).