(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C21H23N3 — CID 95133196

IUPAC(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nccn1-c1ccccc1CN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C21H23N3/c1-16-22-12-13-24(16)21-9-5-4-8-19(21)15-23-20-11-10-17-6-2-3-7-18(17)14-20/h2-9,12-13,20,23H,10-11,14-15H2,1H3/t20-/m0/s1
InChIKeyVIAFHZNNXXEKBF-FQEVSTJZSA-N
MW317.44 g/mol
LogP3.83
Rot. Bonds4

About (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 95133196) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID95133196
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCc1nccn1-c1ccccc1CN[C@H]1CCc2ccccc2C1
InChIInChI=1S/C21H23N3/c1-16-22-12-13-24(16)21-9-5-4-8-19(21)15-23-20-11-10-17-6-2-3-7-18(17)14-20/h2-9,12-13,20,23H,10-11,14-15H2,1H3/t20-/m0/s1
InChIKeyVIAFHZNNXXEKBF-FQEVSTJZSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(naphthalen-2-yl)-1H-imidazole
CID 23644748
1-(2-(1H-imidazol-1-yl)phenyl)methanamine
CID 3161671
2,4-Disubstituted Pyrimidine 2a
CID 5329414
2-[[5-[(4-Fluoro-3-phenylanilino)methyl]imidazol-1-yl]methyl]-5-phenylaniline
CID 72545332
N-[[3-[(2-amino-4-phenylphenyl)methyl]imidazol-4-yl]methyl]-3-(2,6-difluorophenyl)-4-methylaniline
CID 72545335
3-phenyl-N-[[3-(p-tolylmethyl)imidazol-4-yl]methyl]aniline
CID 504428
1-(3-Imidazol-1-ylpropyl)-3-(2-propan-2-ylphenyl)thiourea
CID 5200661
1-(4-Phenylphenyl)imidazole
CID 677923
2-(N-Phenyl-N-benzyl-aminomethyl)-imidazol
CID 6603723
Antozoline hydrochloride
CID 11957448
(E)-1-N-[3-(5-methylimidazol-1-yl)propyl]-1-N'-naphthalen-1-yl-2-nitroethene-1,1-diamine
CID 25022404
2-Cyano(3-(5-methyl-1H-imidazol-1-yl)propyl)-3-(3,4-dimethylphenyl)guanidine
CID 25054968

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 95133196) is (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is Cc1nccn1-c1ccccc1CN[C@H]1CCc2ccccc2C1.
What is the InChIKey of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is VIAFHZNNXXEKBF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3/c1-16-22-12-13-24(16)21-9-5-4-8-19(21)15-23-20-11-10-17-6-2-3-7-18(17)14-20/h2-9,12-13,20,23H,10-11,14-15H2,1H3/t20-/m0/s1.
What are the key properties of (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 317.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 95133196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).