(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine

C12H13N — CID 12637323

IUPAC(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
SMILESN[C@@H](C1=CC=CC1)c1ccccc1
InChIInChI=1S/C12H13N/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-8,12H,9,13H2/t12-/m1/s1
InChIKeyCKCLXWJTQKGPIB-GFCCVEGCSA-N
MW171.24 g/mol
LogP2.57
Rot. Bonds2

About (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine

(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine (PubChem CID 12637323) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
PubChem CID12637323
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine
SMILESN[C@@H](C1=CC=CC1)c1ccccc1
InChIInChI=1S/C12H13N/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-8,12H,9,13H2/t12-/m1/s1
InChIKeyCKCLXWJTQKGPIB-GFCCVEGCSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
CID 101420954
diphenylmethanamine;methanethiol
CID 143873840
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
(2-methylphenyl)-phenylmethanamine
CID 15254157
(2S)-2-amino-3-cyclohexa-1,3-dien-1-yl-3-phenylpropanoic acid
CID 71096762
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130
2,2-di(cyclopenta-1,3-dien-1-yl)ethanol
CID 22274817
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829
7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene
CID 57155586
1-benzhydryl-2-cyclopenta-1,3-dien-1-ylbenzene
CID 174354698
5-[amino(phenyl)methyl]-4-methylbenzene-1,3-diamine
CID 54211111

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine?
The IUPAC name of (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine (CID 12637323) is (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine.
What is the SMILES notation for (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine?
The canonical SMILES for (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine is N[C@@H](C1=CC=CC1)c1ccccc1.
What is the InChIKey of (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine?
The InChIKey is CKCLXWJTQKGPIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H13N/c13-12(11-8-4-5-9-11)10-6-2-1-3-7-10/h1-8,12H,9,13H2/t12-/m1/s1.
What are the key properties of (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine?
(S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine has a molecular weight of 171.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopenta-1,3-dien-1-yl(phenyl)methanamine is sourced from PubChem (CID 12637323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).