4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline

C14H21BrN2 — CID 117478718

IUPAC4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(N)CCCCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-17(2)13-7-6-11(10-12(13)15)14(16)8-4-3-5-9-14/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyDPABAQHEFOKBBR-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.63
Rot. Bonds2

About 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline

4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline (PubChem CID 117478718) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
PubChem CID117478718
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline
SMILESCN(C)c1ccc(C2(N)CCCCC2)cc1Br
InChIInChI=1S/C14H21BrN2/c1-17(2)13-7-6-11(10-12(13)15)14(16)8-4-3-5-9-14/h6-7,10H,3-5,8-9,16H2,1-2H3
InChIKeyDPABAQHEFOKBBR-UHFFFAOYSA-N
XLogP3.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline 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

4-[1-(aminomethyl)cyclobutyl]-2-bromo-N,N-dimethylaniline
CID 117455123
1-[3-bromo-4-(dimethylamino)phenyl]cyclopropan-1-ol
CID 117393248
4-[1-(1-aminoethyl)cyclopropyl]-2-bromo-N,N-dimethylaniline
CID 117455098
4-(1-aminocyclopropyl)-2-chloro-N,N-dimethylaniline
CID 84781395
2-bromo-N,N-dimethyl-4-(2-methylpyrrolidin-2-yl)aniline
CID 117455118
1-(3-bromo-4-cyclobutyloxyphenyl)cyclopentan-1-amine
CID 117495005
1-(3-bromo-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117461277
5-(1-aminocyclopentyl)-2,3-difluoro-N,N-dimethylaniline
CID 117112812
1-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)cyclohexan-1-amine
CID 117360955
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
1-(4-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 23289263
3-(1-aminocyclobutyl)-N,N-dimethylaniline
CID 82603640

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline?
The IUPAC name of 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline (CID 117478718) is 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline.
What is the SMILES notation for 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline?
The canonical SMILES for 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline is CN(C)c1ccc(C2(N)CCCCC2)cc1Br.
What is the InChIKey of 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline?
The InChIKey is DPABAQHEFOKBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-17(2)13-7-6-11(10-12(13)15)14(16)8-4-3-5-9-14/h6-7,10H,3-5,8-9,16H2,1-2H3.
What are the key properties of 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline?
4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline has a molecular weight of 297.24 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclohexyl)-2-bromo-N,N-dimethylaniline is sourced from PubChem (CID 117478718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).