2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline

C14H19BrClNO — CID 113445401

IUPAC2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
SMILESCOC1CCCCC1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H19BrClNO/c1-9-7-10(15)13(8-11(9)16)17-12-5-3-4-6-14(12)18-2/h7-8,12,14,17H,3-6H2,1-2H3
InChIKeyKNWYLHUSHGYWTD-UHFFFAOYSA-N
MW332.67 g/mol
LogP4.78
Rot. Bonds3

About 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline

2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline (PubChem CID 113445401) has the molecular formula C14H19BrClNO and a molecular weight of 332.67 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
PubChem CID113445401
Molecular FormulaC14H19BrClNO
Molecular Weight332.67 g/mol
Exact Mass331.03
IUPAC Name2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
SMILESCOC1CCCCC1Nc1cc(Cl)c(C)cc1Br
InChIInChI=1S/C14H19BrClNO/c1-9-7-10(15)13(8-11(9)16)17-12-5-3-4-6-14(12)18-2/h7-8,12,14,17H,3-6H2,1-2H3
InChIKeyKNWYLHUSHGYWTD-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.67
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(2-bromo-5-chloro-4-methylanilino)cyclopentan-1-ol
CID 102734035
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
2-bromo-N-(2-methoxycyclohexyl)aniline
CID 43762670
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
N-(2-methoxycyclohexyl)-2,4,6-trimethylaniline
CID 54861611
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
2-bromo-5-chloro-N-(2-cyclopentylethyl)-4-methylaniline
CID 114191103
2-[[(1S,2S)-2-aminocyclohexyl]amino]-4-chloro-5-methylbenzonitrile
CID 66703712
4-bromo-2,6-difluoro-N-(2-methoxycyclohexyl)aniline
CID 65468907
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
3-chloro-N-(2-methoxycyclopentyl)pyridin-4-amine
CID 79841393
N-(2-bromo-5-chloro-4-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 104722837

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline (CID 113445401) is 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline is COC1CCCCC1Nc1cc(Cl)c(C)cc1Br.
What is the InChIKey of 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline?
The InChIKey is KNWYLHUSHGYWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO/c1-9-7-10(15)13(8-11(9)16)17-12-5-3-4-6-14(12)18-2/h7-8,12,14,17H,3-6H2,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline?
2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline has a molecular weight of 332.67 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline is sourced from PubChem (CID 113445401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).