2-bromo-N-(cyclohexylmethyl)aniline

C13H18BrN — CID 29270197

IUPAC2-bromo-N-(cyclohexylmethyl)aniline
SMILESBrc1ccccc1NCC1CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2
InChIKeyUTEULBPXRFIQEX-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.44
Rot. Bonds3

About 2-bromo-N-(cyclohexylmethyl)aniline

2-bromo-N-(cyclohexylmethyl)aniline (PubChem CID 29270197) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 2-bromo-N-(cyclohexylmethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(cyclohexylmethyl)aniline
PubChem CID29270197
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name2-bromo-N-(cyclohexylmethyl)aniline
SMILESBrc1ccccc1NCC1CCCCC1
InChIInChI=1S/C13H18BrN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2
InChIKeyUTEULBPXRFIQEX-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bromantan
CID 4660557
N-benzyl-4-bromoaniline
CID 961575
2-Bromo-N-methylaniline
CID 334086
N-(2-Ethylhexyl)aniline
CID 61484
2-Bromo-N-phenylaniline
CID 6425787
N-Benzyl-3-bromoaniline
CID 9965096
N-(2-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399494
4-bromo-N-(4-methylbenzyl)aniline
CID 292569
3-Bromo-N-(prop-2-en-1-yl)aniline
CID 24747736
Benzyl(3,5-dibromo-phenyl)-amine
CID 10640949
4-bromo-N-ethylaniline
CID 11745656
4-Bromo-N,2-diethylaniline
CID 23053415

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(cyclohexylmethyl)aniline?
The IUPAC name of 2-bromo-N-(cyclohexylmethyl)aniline (CID 29270197) is 2-bromo-N-(cyclohexylmethyl)aniline.
What is the SMILES notation for 2-bromo-N-(cyclohexylmethyl)aniline?
The canonical SMILES for 2-bromo-N-(cyclohexylmethyl)aniline is Brc1ccccc1NCC1CCCCC1.
What is the InChIKey of 2-bromo-N-(cyclohexylmethyl)aniline?
The InChIKey is UTEULBPXRFIQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15H,1-3,6-7,10H2.
What are the key properties of 2-bromo-N-(cyclohexylmethyl)aniline?
2-bromo-N-(cyclohexylmethyl)aniline has a molecular weight of 268.20 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(cyclohexylmethyl)aniline is sourced from PubChem (CID 29270197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).