2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline

C15H23BrN2 — CID 113335088

IUPAC2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCCCC1
InChIInChI=1S/C15H23BrN2/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h7-9,12H,2-6,10-11,17H2,1H3
InChIKeyYDFUGQKTULLIHP-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.04
Rot. Bonds4

About 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline

2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline (PubChem CID 113335088) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
PubChem CID113335088
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Br)c(N)c1)CC1CCCCC1
InChIInChI=1S/C15H23BrN2/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h7-9,12H,2-6,10-11,17H2,1H3
InChIKeyYDFUGQKTULLIHP-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-5-methylaniline
CID 6422065
2-Bromo-N,N,5-trimethylaniline
CID 3355354
4-Bromo-2-((cyclohexyl(methyl)amino)methyl)aniline
CID 14549853
5-Bromo-2-[(dimethylamino)methyl]aniline
CID 79712483
N-Benzyl-2-bromoaniline
CID 10084034
N-[1-(4-bromophenyl)ethyl]aniline
CID 11701807
N-(4-Bromobenzyl)aniline
CID 12452126
2-Bromo-5-ethylaniline hydrochloride
CID 126796901
2-bromo-N-ethyl-5-(trifluoromethyl)aniline
CID 108126325
N-[1-(4-bromophenyl)propyl]aniline
CID 11623427
3-[(4-Bromophenyl)methyl-methylamino]benzonitrile
CID 61687961
3-Amino-4-bromostyrene
CID 12241451

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline (CID 113335088) is 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(Br)c(N)c1)CC1CCCCC1.
What is the InChIKey of 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
The InChIKey is YDFUGQKTULLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(10-12-5-3-2-4-6-12)11-13-7-8-14(16)15(17)9-13/h7-9,12H,2-6,10-11,17H2,1H3.
What are the key properties of 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline?
2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline has a molecular weight of 311.27 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[[cyclohexylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 113335088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).