N-[phenyl(pyridin-3-yl)methyl]aniline

C18H16N2 — CID 59907870

IUPACN-[phenyl(pyridin-3-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-7-13-19-14-16)20-17-11-5-2-6-12-17/h1-14,18,20H
InChIKeyIYHDSHNSZHYWBH-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.28
Rot. Bonds4

About N-[phenyl(pyridin-3-yl)methyl]aniline

N-[phenyl(pyridin-3-yl)methyl]aniline (PubChem CID 59907870) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[phenyl(pyridin-3-yl)methyl]aniline.

Molecular Properties

Compound NameN-[phenyl(pyridin-3-yl)methyl]aniline
PubChem CID59907870
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC NameN-[phenyl(pyridin-3-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2cccnc2)cc1
InChIInChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-7-13-19-14-16)20-17-11-5-2-6-12-17/h1-14,18,20H
InChIKeyIYHDSHNSZHYWBH-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(benzhydrylamino)-pyridin-3-ylmethyl]phosphonous acid
CID 21325869
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-fluoro-N-[phenyl(pyridin-4-yl)methyl]aniline
CID 43608159
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
(1R)-1-(4-fluorophenyl)-N-methyl-1-pyridin-3-ylmethanamine
CID 51693922
4-iodo-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-3-ylmethyl]aniline
CID 1184822
2-[4-[[phenyl(pyridin-4-yl)methyl]amino]phenyl]ethanol
CID 110902658

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-3-yl)methyl]aniline?
The IUPAC name of N-[phenyl(pyridin-3-yl)methyl]aniline (CID 59907870) is N-[phenyl(pyridin-3-yl)methyl]aniline.
What is the SMILES notation for N-[phenyl(pyridin-3-yl)methyl]aniline?
The canonical SMILES for N-[phenyl(pyridin-3-yl)methyl]aniline is c1ccc(NC(c2ccccc2)c2cccnc2)cc1.
What is the InChIKey of N-[phenyl(pyridin-3-yl)methyl]aniline?
The InChIKey is IYHDSHNSZHYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-8-15(9-4-1)18(16-10-7-13-19-14-16)20-17-11-5-2-6-12-17/h1-14,18,20H.
What are the key properties of N-[phenyl(pyridin-3-yl)methyl]aniline?
N-[phenyl(pyridin-3-yl)methyl]aniline has a molecular weight of 260.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-3-yl)methyl]aniline is sourced from PubChem (CID 59907870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).