N-benzyl-N-(3-pyridin-4-ylpropyl)aniline

C21H22N2 — CID 155930711

IUPACN-benzyl-N-(3-pyridin-4-ylpropyl)aniline
SMILESc1ccc(CN(CCCc2ccncc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2/c1-3-8-20(9-4-1)18-23(21-11-5-2-6-12-21)17-7-10-19-13-15-22-16-14-19/h1-6,8-9,11-16H,7,10,17-18H2
InChIKeyCJVUWCWOBNAUDC-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.72
Rot. Bonds7

About N-benzyl-N-(3-pyridin-4-ylpropyl)aniline

N-benzyl-N-(3-pyridin-4-ylpropyl)aniline (PubChem CID 155930711) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-benzyl-N-(3-pyridin-4-ylpropyl)aniline.

Molecular Properties

Compound NameN-benzyl-N-(3-pyridin-4-ylpropyl)aniline
PubChem CID155930711
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-benzyl-N-(3-pyridin-4-ylpropyl)aniline
SMILESc1ccc(CN(CCCc2ccncc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2/c1-3-8-20(9-4-1)18-23(21-11-5-2-6-12-21)17-7-10-19-13-15-22-16-14-19/h1-6,8-9,11-16H,7,10,17-18H2
InChIKeyCJVUWCWOBNAUDC-UHFFFAOYSA-N
XLogP4.72
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(5-phenylpentyl)aniline
CID 18790289
N,N-dibenzylpyridin-4-amine
CID 15006775
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
N,N-bis(5-phenylpentyl)aniline
CID 173233703
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
N,N-dibenzylaniline
CID 139071697
4-(3-aminopropyl)-N,N-dibenzylaniline
CID 173288606
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-benzyl-N-propylaniline
CID 14671265

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-pyridin-4-ylpropyl)aniline?
The IUPAC name of N-benzyl-N-(3-pyridin-4-ylpropyl)aniline (CID 155930711) is N-benzyl-N-(3-pyridin-4-ylpropyl)aniline.
What is the SMILES notation for N-benzyl-N-(3-pyridin-4-ylpropyl)aniline?
The canonical SMILES for N-benzyl-N-(3-pyridin-4-ylpropyl)aniline is c1ccc(CN(CCCc2ccncc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(3-pyridin-4-ylpropyl)aniline?
The InChIKey is CJVUWCWOBNAUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-3-8-20(9-4-1)18-23(21-11-5-2-6-12-21)17-7-10-19-13-15-22-16-14-19/h1-6,8-9,11-16H,7,10,17-18H2.
What are the key properties of N-benzyl-N-(3-pyridin-4-ylpropyl)aniline?
N-benzyl-N-(3-pyridin-4-ylpropyl)aniline has a molecular weight of 302.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-pyridin-4-ylpropyl)aniline is sourced from PubChem (CID 155930711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).