2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine

C14H22BrClN2 — CID 174746567

IUPAC2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
SMILESCN.CN(c1ccc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C13H17BrClN.CH5N/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14;1-2/h7-9,11H,2-6H2,1H3;2H2,1H3
InChIKeyHLGMNOPOLKXEHX-UHFFFAOYSA-N
MW333.70 g/mol
LogP4.45
Rot. Bonds2

About 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine

2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine (PubChem CID 174746567) has the molecular formula C14H22BrClN2 and a molecular weight of 333.70 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine.

Molecular Properties

Compound Name2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
PubChem CID174746567
Molecular FormulaC14H22BrClN2
Molecular Weight333.70 g/mol
Exact Mass332.07
IUPAC Name2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine
SMILESCN.CN(c1ccc(Cl)cc1Br)C1CCCCC1
InChIInChI=1S/C13H17BrClN.CH5N/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14;1-2/h7-9,11H,2-6H2,1H3;2H2,1H3
InChIKeyHLGMNOPOLKXEHX-UHFFFAOYSA-N
XLogP4.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.70
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-[cyclohexyl(methyl)amino]benzonitrile
CID 55078332
(1R)-1-[3-bromo-4-[cyclopentyl(methyl)amino]phenyl]ethanol
CID 63370691
N-[5-chloro-2-(chloromethyl)phenyl]-N-methylcycloheptanamine
CID 114846425
N-[2-(2-aminobutyl)-5-chlorophenyl]-N-methylcycloheptanamine
CID 114860719
4-chloro-2-[cyclopentyl(methyl)amino]benzonitrile
CID 63093750
2-(1-aminoethyl)-4-bromo-N-cyclopentyl-N-methylaniline
CID 82972417
N-cyclohexyl-2,3,4-trifluoro-N-methylaniline
CID 110454518
4-chloro-N-cyclohexyl-N-methyl-2-(propylaminomethyl)aniline
CID 114847451
2-(aminomethyl)-4-chloro-N-cyclopropyl-N-methylaniline
CID 62493641
4-chloro-2-[cyclopentyl(methyl)amino]benzoic acid
CID 63081490
2,4-dichloro-N-cyclohexyl-N-propan-2-ylaniline
CID 67961646
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine?
The IUPAC name of 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine (CID 174746567) is 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine.
What is the SMILES notation for 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine?
The canonical SMILES for 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine is CN.CN(c1ccc(Cl)cc1Br)C1CCCCC1.
What is the InChIKey of 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine?
The InChIKey is HLGMNOPOLKXEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN.CH5N/c1-16(11-5-3-2-4-6-11)13-8-7-10(15)9-12(13)14;1-2/h7-9,11H,2-6H2,1H3;2H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine?
2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine has a molecular weight of 333.70 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-cyclohexyl-N-methylaniline;methanamine is sourced from PubChem (CID 174746567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).