1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine

C16H25BrN2 — CID 79066221

IUPAC1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C16H25BrN2/c1-19(2)16(10-6-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3
InChIKeyBOFUCKCOBZGLQR-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.58
Rot. Bonds4

About 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine

1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 79066221) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID79066221
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C16H25BrN2/c1-19(2)16(10-6-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3
InChIKeyBOFUCKCOBZGLQR-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-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

1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
2-(2-bromophenyl)-1-(1-phenylcyclopentyl)ethanamine
CID 63417762
1-[1-amino-2-(5-bromo-2-fluorophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063733
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
1-[1-amino-2-(2-fluoro-3-methoxyphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 104794103
1-(1-amino-2-thiophen-2-ylethyl)-N,N-dimethylcyclohexan-1-amine
CID 79066955
2-(2-bromophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanol
CID 79074463
1-[2-(2-bromophenyl)-1-hydrazinylethyl]-N,N,3-trimethylcyclohexan-1-amine
CID 105243735
1-[1-amino-2-(4-iodophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081776
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
1-(1-amino-4-phenylbutyl)-N,N-dimethylcyclohexan-1-amine
CID 79066143

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine (CID 79066221) is 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)Cc2ccccc2Br)CCCCC1.
What is the InChIKey of 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is BOFUCKCOBZGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-19(2)16(10-6-3-7-11-16)15(18)12-13-8-4-5-9-14(13)17/h4-5,8-9,15H,3,6-7,10-12,18H2,1-2H3.
What are the key properties of 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79066221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).