(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine

C13H19N — CID 130055056

IUPAC(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc([C@@H](N)C2CCC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11,13H,3-5,14H2,1-2H3/t13-/m0/s1
InChIKeySQEKODVNKWAKHD-ZDUSSCGKSA-N
MW189.30 g/mol
LogP3.10
Rot. Bonds2

About (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine

(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine (PubChem CID 130055056) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
PubChem CID130055056
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
SMILESCc1cc(C)cc([C@@H](N)C2CCC2)c1
InChIInChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11,13H,3-5,14H2,1-2H3/t13-/m0/s1
InChIKeySQEKODVNKWAKHD-ZDUSSCGKSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
(3-bromo-5-methylphenyl)-cyclobutylmethanamine
CID 112631023
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(3,5-dimethylphenyl)-(4-ethylcyclohexyl)methanamine
CID 65395177
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(3,4-dimethylcyclohexyl)-(3,5-dimethylphenyl)methanamine
CID 104989109
cyclohexyl-(2,6-dimethyl-4-pyridinyl)methanamine
CID 107503026
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
cycloheptyl-(3,5-dimethylphenyl)methanol
CID 65399155
cyclohexyl-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 65299040

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine?
The IUPAC name of (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine (CID 130055056) is (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine?
The canonical SMILES for (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine is Cc1cc(C)cc([C@@H](N)C2CCC2)c1.
What is the InChIKey of (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine?
The InChIKey is SQEKODVNKWAKHD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19N/c1-9-6-10(2)8-12(7-9)13(14)11-4-3-5-11/h6-8,11,13H,3-5,14H2,1-2H3/t13-/m0/s1.
What are the key properties of (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine?
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 130055056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).