N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

C17H24BrN — CID 81379091

IUPACN-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C17H24BrN/c1-12(16-7-2-3-8-17(16)18)19-15-6-4-5-14(11-15)13-9-10-13/h2-3,7-8,12-15,19H,4-6,9-11H2,1H3/t12-,14?,15?/m1/s1
InChIKeyBRROWAJLZKYPLK-LRVUVFPRSA-N
MW322.29 g/mol
LogP5.07
Rot. Bonds4

About N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine

N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (PubChem CID 81379091) has the molecular formula C17H24BrN and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
PubChem CID81379091
Molecular FormulaC17H24BrN
Molecular Weight322.29 g/mol
Exact Mass321.11
IUPAC NameN-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
SMILESC[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1Br
InChIInChI=1S/C17H24BrN/c1-12(16-7-2-3-8-17(16)18)19-15-6-4-5-14(11-15)13-9-10-13/h2-3,7-8,12-15,19H,4-6,9-11H2,1H3/t12-,14?,15?/m1/s1
InChIKeyBRROWAJLZKYPLK-LRVUVFPRSA-N
XLogP5.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-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-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-[1-(2-bromophenyl)ethyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122278
N-[(1S)-1-(2-bromophenyl)ethyl]-4-methylcycloheptan-1-amine
CID 81383167
N-[(1R)-1-(2-bromophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81383002
3-cyclopropyl-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 81350676
N-[(1R)-1-(2-bromophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81378163
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
N-[1-(4-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 64624415
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-[1-(2-bromophenyl)ethyl]-1-methylazepan-4-amine
CID 65070708
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1S)-1-(2-bromophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 81378144

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The IUPAC name of N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine (CID 81379091) is N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The canonical SMILES for N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is C[C@@H](NC1CCCC(C2CC2)C1)c1ccccc1Br.
What is the InChIKey of N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
The InChIKey is BRROWAJLZKYPLK-LRVUVFPRSA-N. The full InChI is InChI=1S/C17H24BrN/c1-12(16-7-2-3-8-17(16)18)19-15-6-4-5-14(11-15)13-9-10-13/h2-3,7-8,12-15,19H,4-6,9-11H2,1H3/t12-,14?,15?/m1/s1.
What are the key properties of N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine?
N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine has a molecular weight of 322.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-bromophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine is sourced from PubChem (CID 81379091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).