3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline

C14H20Br2N2 — CID 157096495

IUPAC3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline
SMILESCN(Cc1c(Br)ccc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H20Br2N2/c1-18(10-5-3-2-4-6-10)9-11-12(15)7-8-13(16)14(11)17/h7-8,10H,2-6,9,17H2,1H3
InChIKeyAFGQQSXASCUKSW-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.56
Rot. Bonds3

About 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline

3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline (PubChem CID 157096495) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline
PubChem CID157096495
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline
SMILESCN(Cc1c(Br)ccc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H20Br2N2/c1-18(10-5-3-2-4-6-10)9-11-12(15)7-8-13(16)14(11)17/h7-8,10H,2-6,9,17H2,1H3
InChIKeyAFGQQSXASCUKSW-UHFFFAOYSA-N
XLogP4.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.56
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-6-[[cyclohexyl(methyl)amino]methyl]benzene-1,4-diamine
CID 89199659
2,4-dibromo-6-[[cyclohexyl(methyl)amino]-ditritiomethyl]aniline
CID 11291924
N-[(2-amino-6-bromophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004344
N-[(4-amino-2-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 64768656
2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 43266778
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(4-bromo-2-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 113471328
2-(aminomethyl)-3-bromo-N-cyclopentyl-N-methylaniline
CID 114879451
5-[[cyclohexyl(methyl)amino]methyl]-1,2-oxazol-3-amine
CID 117038942
N-[(3-amino-4-chlorophenyl)methyl]-N-methylcycloheptanamine
CID 43613742
N-[(4-amino-3-fluorophenyl)methyl]-N-methylcycloheptanamine
CID 55159078
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline?
The IUPAC name of 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline (CID 157096495) is 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline is CN(Cc1c(Br)ccc(Br)c1N)C1CCCCC1.
What is the InChIKey of 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline?
The InChIKey is AFGQQSXASCUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-18(10-5-3-2-4-6-10)9-11-12(15)7-8-13(16)14(11)17/h7-8,10H,2-6,9,17H2,1H3.
What are the key properties of 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline?
3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline has a molecular weight of 376.14 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2-[[cyclohexyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 157096495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).