N-[phenyl(1H-pyrrol-2-yl)methyl]aniline

C17H16N2 — CID 174623449

IUPACN-[phenyl(1H-pyrrol-2-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2ccc[nH]2)cc1
InChIInChI=1S/C17H16N2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)19-15-10-5-2-6-11-15/h1-13,17-19H
InChIKeyNLPTVGGIOCYDIM-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.22
Rot. Bonds4

About N-[phenyl(1H-pyrrol-2-yl)methyl]aniline

N-[phenyl(1H-pyrrol-2-yl)methyl]aniline (PubChem CID 174623449) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[phenyl(1H-pyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound NameN-[phenyl(1H-pyrrol-2-yl)methyl]aniline
PubChem CID174623449
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC NameN-[phenyl(1H-pyrrol-2-yl)methyl]aniline
SMILESc1ccc(NC(c2ccccc2)c2ccc[nH]2)cc1
InChIInChI=1S/C17H16N2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)19-15-10-5-2-6-11-15/h1-13,17-19H
InChIKeyNLPTVGGIOCYDIM-UHFFFAOYSA-N
XLogP4.22
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 43344281
N-[phenyl-(2-propan-2-ylphenyl)methyl]aniline
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CID 24744115
N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
CID 151383687
N-[phenyl(pyridin-3-yl)methyl]aniline
CID 59907870
2-phenyl-2-(1H-pyrrol-2-yl)acetamide
CID 172712190
N-benzhydryl-4-ethylaniline
CID 175202309
anilino(phenyl)methanethiol
CID 130255303
N-[(4-ethylphenyl)-(1H-pyrrol-2-yl)methyl]propan-1-amine
CID 112742707
4-[anilino(phenyl)methyl]-1,2,5-oxadiazol-3-amine
CID 15266648
2-[[3-tert-butyl-5-[phenyl(1H-pyrrol-2-yl)methyl]phenyl]-phenylmethyl]-1H-pyrrole
CID 102500839
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(1H-pyrrol-2-yl)methyl]aniline?
The IUPAC name of N-[phenyl(1H-pyrrol-2-yl)methyl]aniline (CID 174623449) is N-[phenyl(1H-pyrrol-2-yl)methyl]aniline.
What is the SMILES notation for N-[phenyl(1H-pyrrol-2-yl)methyl]aniline?
The canonical SMILES for N-[phenyl(1H-pyrrol-2-yl)methyl]aniline is c1ccc(NC(c2ccccc2)c2ccc[nH]2)cc1.
What is the InChIKey of N-[phenyl(1H-pyrrol-2-yl)methyl]aniline?
The InChIKey is NLPTVGGIOCYDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-3-8-14(9-4-1)17(16-12-7-13-18-16)19-15-10-5-2-6-11-15/h1-13,17-19H.
What are the key properties of N-[phenyl(1H-pyrrol-2-yl)methyl]aniline?
N-[phenyl(1H-pyrrol-2-yl)methyl]aniline has a molecular weight of 248.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(1H-pyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 174623449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).