(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine

C14H17N — CID 102238479

IUPAC(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc([C@@H](N)C2C=CC=C2)c1
InChIInChI=1S/C14H17N/c1-10-7-11(2)9-13(8-10)14(15)12-5-3-4-6-12/h3-9,12,14H,15H2,1-2H3/t14-/m0/s1
InChIKeyGLFRHGWKQLHEJC-AWEZNQCLSA-N
MW199.30 g/mol
LogP3.05
Rot. Bonds2

About (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine

(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine (PubChem CID 102238479) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine
PubChem CID102238479
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc([C@@H](N)C2C=CC=C2)c1
InChIInChI=1S/C14H17N/c1-10-7-11(2)9-13(8-10)14(15)12-5-3-4-6-12/h3-9,12,14H,15H2,1-2H3/t14-/m0/s1
InChIKeyGLFRHGWKQLHEJC-AWEZNQCLSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
bis(3,5-dimethylphenyl)methanamine
CID 115796405
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
1,2-bis(3,5-dimethylphenyl)ethanamine
CID 55096005
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 115797335
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
(1R,2R)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 130921857
(1R,2S)-1-amino-1-(3,5-dimethylphenyl)propan-2-ol
CID 55295473
amino-(3-amino-5-methylphenyl)methanol
CID 57041170

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine (CID 102238479) is (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc([C@@H](N)C2C=CC=C2)c1.
What is the InChIKey of (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine?
The InChIKey is GLFRHGWKQLHEJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17N/c1-10-7-11(2)9-13(8-10)14(15)12-5-3-4-6-12/h3-9,12,14H,15H2,1-2H3/t14-/m0/s1.
What are the key properties of (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine?
(S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine has a molecular weight of 199.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopenta-2,4-dien-1-yl-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 102238479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).