(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

C20H23N3 — CID 95188898

IUPAC(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCc1cc(C)cc(CN[C@@H](c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C20H23N3/c1-15-11-16(2)13-17(12-15)14-22-19(18-7-5-4-6-8-18)20-21-9-10-23(20)3/h4-13,19,22H,14H2,1-3H3/t19-/m0/s1
InChIKeyLFOAVHIMTJZEOX-IBGZPJMESA-N
MW305.43 g/mol
LogP3.92
Rot. Bonds5

About (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine

(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (PubChem CID 95188898) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
PubChem CID95188898
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
SMILESCc1cc(C)cc(CN[C@@H](c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C20H23N3/c1-15-11-16(2)13-17(12-15)14-22-19(18-7-5-4-6-8-18)20-21-9-10-23(20)3/h4-13,19,22H,14H2,1-3H3/t19-/m0/s1
InChIKeyLFOAVHIMTJZEOX-IBGZPJMESA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyphenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 86854923
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
(1R)-1-(1-methylimidazol-2-yl)-1-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 92854396
(1R)-N-(furan-2-ylmethyl)-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 94189098
(1S)-1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(1-methylimidazol-2-yl)methanamine
CID 92854425
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 47613943
(1R)-1-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 94193697
N-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1-pyridin-4-ylmethanamine
CID 43408958
N-[(3-chlorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315383
N-[(1-methylimidazol-2-yl)-naphthalen-2-ylmethyl]ethanamine
CID 61315945

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The IUPAC name of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine (CID 95188898) is (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine.
What is the SMILES notation for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The canonical SMILES for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is Cc1cc(C)cc(CN[C@@H](c2ccccc2)c2nccn2C)c1.
What is the InChIKey of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
The InChIKey is LFOAVHIMTJZEOX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3/c1-15-11-16(2)13-17(12-15)14-22-19(18-7-5-4-6-8-18)20-21-9-10-23(20)3/h4-13,19,22H,14H2,1-3H3/t19-/m0/s1.
What are the key properties of (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine?
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine has a molecular weight of 305.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,5-dimethylphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine is sourced from PubChem (CID 95188898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).