[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

C15H21BrFN — CID 81009547

IUPAC[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFN/c1-10-2-3-12(9-18)13(4-10)5-11-6-14(16)8-15(17)7-11/h6-8,10,12-13H,2-5,9,18H2,1H3
InChIKeyFESIZECVFDXMQG-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.14
Rot. Bonds3

About [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine

[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (PubChem CID 81009547) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
PubChem CID81009547
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC Name[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Cc2cc(F)cc(Br)c2)C1
InChIInChI=1S/C15H21BrFN/c1-10-2-3-12(9-18)13(4-10)5-11-6-14(16)8-15(17)7-11/h6-8,10,12-13H,2-5,9,18H2,1H3
InChIKeyFESIZECVFDXMQG-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-bromo-5-fluorophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011817
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
[2-[(3-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010735
2-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 79701432
[2-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011754
[2-[(3,5-difluorophenyl)methyl]cyclobutyl]methanamine
CID 105411409
3-[(3-bromo-5-fluorophenyl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 79711062
[2-[(3,4-dimethylphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81010415
[2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009861
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967
2-[1-(3-bromo-5-fluorophenyl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-ol
CID 79711953
1-bromo-3-[(2-bromocyclohexyl)methyl]-5-fluorobenzene
CID 79709732

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine (CID 81009547) is [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Cc2cc(F)cc(Br)c2)C1.
What is the InChIKey of [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
The InChIKey is FESIZECVFDXMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10-2-3-12(9-18)13(4-10)5-11-6-14(16)8-15(17)7-11/h6-8,10,12-13H,2-5,9,18H2,1H3.
What are the key properties of [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine?
[2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine has a molecular weight of 314.24 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-5-fluorophenyl)methyl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 81009547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).