N-benzyl-N-(5-phenylpentyl)aniline

C24H27N — CID 18790289

IUPACN-benzyl-N-(5-phenylpentyl)aniline
SMILESc1ccc(CCCCCN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-5-13-22(14-6-1)15-9-4-12-20-25(24-18-10-3-11-19-24)21-23-16-7-2-8-17-23/h1-3,5-8,10-11,13-14,16-19H,4,9,12,15,20-21H2
InChIKeyJLNJKRCOETXVNA-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.11
Rot. Bonds9

About N-benzyl-N-(5-phenylpentyl)aniline

N-benzyl-N-(5-phenylpentyl)aniline (PubChem CID 18790289) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is N-benzyl-N-(5-phenylpentyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-(5-phenylpentyl)aniline
PubChem CID18790289
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC NameN-benzyl-N-(5-phenylpentyl)aniline
SMILESc1ccc(CCCCCN(Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-5-13-22(14-6-1)15-9-4-12-20-25(24-18-10-3-11-19-24)21-23-16-7-2-8-17-23/h1-3,5-8,10-11,13-14,16-19H,4,9,12,15,20-21H2
InChIKeyJLNJKRCOETXVNA-UHFFFAOYSA-N
XLogP6.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(5-phenylpentyl)aniline
CID 173233703
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline
CID 155930711
N-ethyl-N-(5-phenylpentyl)aniline
CID 57010126
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
2-[N-(4-phenylbutyl)anilino]acetic acid
CID 114334085
N,N-dibenzylaniline
CID 139071697
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
N-benzyl-N-propylaniline
CID 14671265
N,N-dibenzyl-3-phenylpropan-1-amine
CID 3867567
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
4-phenylbutylbenzene
CID 141301927
N-[[3,5-bis[[4-phenylbutyl(pyrimidin-2-yl)amino]methyl]phenyl]methyl]-N-(4-phenylbutyl)pyrimidin-2-amine;trihydrochloride
CID 170908908

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(5-phenylpentyl)aniline?
The IUPAC name of N-benzyl-N-(5-phenylpentyl)aniline (CID 18790289) is N-benzyl-N-(5-phenylpentyl)aniline.
What is the SMILES notation for N-benzyl-N-(5-phenylpentyl)aniline?
The canonical SMILES for N-benzyl-N-(5-phenylpentyl)aniline is c1ccc(CCCCCN(Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(5-phenylpentyl)aniline?
The InChIKey is JLNJKRCOETXVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-5-13-22(14-6-1)15-9-4-12-20-25(24-18-10-3-11-19-24)21-23-16-7-2-8-17-23/h1-3,5-8,10-11,13-14,16-19H,4,9,12,15,20-21H2.
What are the key properties of N-benzyl-N-(5-phenylpentyl)aniline?
N-benzyl-N-(5-phenylpentyl)aniline has a molecular weight of 329.49 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(5-phenylpentyl)aniline is sourced from PubChem (CID 18790289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).