(3-bromo-5-methylphenyl)-cyclobutylmethanamine

C12H16BrN — CID 112631023

IUPAC(3-bromo-5-methylphenyl)-cyclobutylmethanamine
SMILESCc1cc(Br)cc(C(N)C2CCC2)c1
InChIInChI=1S/C12H16BrN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyFMVDTLCHTWHKCS-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.56
Rot. Bonds2

About (3-bromo-5-methylphenyl)-cyclobutylmethanamine

(3-bromo-5-methylphenyl)-cyclobutylmethanamine (PubChem CID 112631023) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-cyclobutylmethanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-cyclobutylmethanamine
PubChem CID112631023
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name(3-bromo-5-methylphenyl)-cyclobutylmethanamine
SMILESCc1cc(Br)cc(C(N)C2CCC2)c1
InChIInChI=1S/C12H16BrN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3
InChIKeyFMVDTLCHTWHKCS-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(R)-cyclobutyl-(3,5-dibromophenyl)methanamine;hydrochloride
CID 171213936
(R)-cyclobutyl-(3-fluoro-5-methylphenyl)methanamine
CID 130054445
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(S)-(3-bromophenyl)-cyclobutylmethanamine;hydrochloride
CID 171218741
[(3-bromo-5-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 105313494
(3-bromo-5-methylphenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 105017770
(R)-(3-chloro-5-methylphenyl)-cyclopropylmethanamine
CID 55278008
(R)-[3-bromo-5-(trifluoromethoxy)phenyl]-cyclobutylmethanamine;hydrochloride
CID 171208272
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-cyclobutylmethanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-cyclobutylmethanamine (CID 112631023) is (3-bromo-5-methylphenyl)-cyclobutylmethanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-cyclobutylmethanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-cyclobutylmethanamine is Cc1cc(Br)cc(C(N)C2CCC2)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-cyclobutylmethanamine?
The InChIKey is FMVDTLCHTWHKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-8-5-10(7-11(13)6-8)12(14)9-3-2-4-9/h5-7,9,12H,2-4,14H2,1H3.
What are the key properties of (3-bromo-5-methylphenyl)-cyclobutylmethanamine?
(3-bromo-5-methylphenyl)-cyclobutylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-cyclobutylmethanamine is sourced from PubChem (CID 112631023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).