N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline

C15H23BrN2 — CID 65383001

IUPACN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
SMILESCC1CC(C)CC(CN)(Nc2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-11-7-12(2)9-15(8-11,10-17)18-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10,17H2,1-2H3
InChIKeyVKIXSYFODWAASN-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.01
Rot. Bonds3

About N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline

N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline (PubChem CID 65383001) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
PubChem CID65383001
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline
SMILESCC1CC(C)CC(CN)(Nc2ccccc2Br)C1
InChIInChI=1S/C15H23BrN2/c1-11-7-12(2)9-15(8-11,10-17)18-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10,17H2,1-2H3
InChIKeyVKIXSYFODWAASN-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromoanilino)-3,5-dimethylcyclohexyl]methanol
CID 64735169
N-[1-(aminomethyl)cyclopropyl]-2-bromoaniline
CID 106661284
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
CID 65384494
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
CID 64750715
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703
ethyl 1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64752668
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carbonitrile
CID 64751479
2-(aminomethyl)-N-(2-bromophenyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 65383215
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylaniline
CID 65379472
[3-(2-bromoanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 61047647
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline (CID 65383001) is N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline is CC1CC(C)CC(CN)(Nc2ccccc2Br)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline?
The InChIKey is VKIXSYFODWAASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-11-7-12(2)9-15(8-11,10-17)18-14-6-4-3-5-13(14)16/h3-6,11-12,18H,7-10,17H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline?
N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline has a molecular weight of 311.27 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,5-dimethylcyclohexyl]-2-bromoaniline is sourced from PubChem (CID 65383001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).