N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H19BrFN — CID 43317429

IUPACN-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(Br)cc2F)C1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyCGYNZZNWERXPKT-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.26
Rot. Bonds3

About N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 43317429) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID43317429
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC NameN-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2ccc(Br)cc2F)C1
InChIInChI=1S/C14H19BrFN/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyCGYNZZNWERXPKT-UHFFFAOYSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine 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

N-[(2-fluoro-4-methoxyphenyl)methyl]-3-methylcyclohexan-1-amine
CID 103757549
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 66160263
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710
4-[[(3-methylcyclohexyl)amino]methyl]benzene-1,3-diol
CID 43317735
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
N-[(4-bromo-2-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965550
4-fluoro-3-[[(3-methylcyclohexyl)amino]methyl]benzamide
CID 43317879
N-[2-(4-bromo-2-fluorophenyl)-1-(3-methylcyclohexyl)ethyl]propan-1-amine
CID 63415854
N-[(4-bromo-2-fluorophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 43242863
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 43317429) is N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2ccc(Br)cc2F)C1.
What is the InChIKey of N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is CGYNZZNWERXPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-10-3-2-4-13(7-10)17-9-11-5-6-12(15)8-14(11)16/h5-6,8,10,13,17H,2-4,7,9H2,1H3.
What are the key properties of N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 300.21 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 43317429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).