N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine

C14H19BrClN — CID 66160263

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H19BrClN/c1-10-3-2-4-13(7-10)17-9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyYSOKZXBNMRULPF-UHFFFAOYSA-N
MW316.67 g/mol
LogP4.77
Rot. Bonds3

About N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine

N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 66160263) has the molecular formula C14H19BrClN and a molecular weight of 316.67 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID66160263
Molecular FormulaC14H19BrClN
Molecular Weight316.67 g/mol
Exact Mass315.04
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(NCc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C14H19BrClN/c1-10-3-2-4-13(7-10)17-9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3
InChIKeyYSOKZXBNMRULPF-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.67
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673
4-chloro-2-[[(3-methylcyclohexyl)amino]methyl]phenol
CID 43317707
3-[(2-bromo-5-chlorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 66155503
N-[(2-bromo-5-chlorophenyl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 66161363
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317429
N-[(2-bromo-5-chlorophenyl)methyl]oxan-3-amine
CID 66161345
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 112651828
trans-(1S,3S)-N-[(2-bromophenyl)methyl]-3-methylcyclopentan-1-amine
CID 95376467
N-[(2,3-dichlorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43317453

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine (CID 66160263) is N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(NCc2cc(Cl)ccc2Br)C1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is YSOKZXBNMRULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN/c1-10-3-2-4-13(7-10)17-9-11-8-12(16)5-6-14(11)15/h5-6,8,10,13,17H,2-4,7,9H2,1H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 316.67 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 66160263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).