2-bromo-N-(2-methoxycyclohexyl)aniline

C13H18BrNO — CID 43762670

IUPAC2-bromo-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyDOYQWLMZCWAUKF-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.82
Rot. Bonds3

About 2-bromo-N-(2-methoxycyclohexyl)aniline

2-bromo-N-(2-methoxycyclohexyl)aniline (PubChem CID 43762670) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-methoxycyclohexyl)aniline
PubChem CID43762670
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name2-bromo-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyDOYQWLMZCWAUKF-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 43762433
2-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62088243
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 81378180
2-bromo-5-chloro-N-(2-methoxycyclohexyl)-4-methylaniline
CID 113445401
2,4,5-trifluoro-N-(2-methoxycyclohexyl)aniline
CID 62815537
2-imidazol-1-yl-N-(2-methoxycyclohexyl)aniline
CID 43779111
5-bromo-2-[(2-methoxycyclohexyl)amino]benzonitrile
CID 82708321
N-(2-methoxycyclohexyl)-1H-indazol-7-amine
CID 43788152
5-[(2-methoxycyclohexyl)amino]-2,3-dihydrophthalazine-1,4-dione
CID 43761185
3-[(2-methoxycyclohexyl)amino]-2-methylbenzamide
CID 43783378
4-bromo-N-(2-methoxycyclohexyl)-2,6-dimethylaniline
CID 63449328
2-amino-3-[(2-methoxycyclopentyl)amino]benzonitrile
CID 113444746

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 2-bromo-N-(2-methoxycyclohexyl)aniline (CID 43762670) is 2-bromo-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 2-bromo-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methoxycyclohexyl)aniline?
The InChIKey is DOYQWLMZCWAUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3.
What are the key properties of 2-bromo-N-(2-methoxycyclohexyl)aniline?
2-bromo-N-(2-methoxycyclohexyl)aniline has a molecular weight of 284.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43762670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).