2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

C15H23BrN2 — CID 62614610

IUPAC2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccccc1Br)CC1CCCCC1N
InChIInChI=1S/C15H23BrN2/c1-18(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)17/h2,4,6,8,13,15H,3,5,7,9-11,17H2,1H3
InChIKeySLKMLVBUHDILOP-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.40
Rot. Bonds4

About 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine

2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 62614610) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID62614610
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCN(Cc1ccccc1Br)CC1CCCCC1N
InChIInChI=1S/C15H23BrN2/c1-18(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)17/h2,4,6,8,13,15H,3,5,7,9-11,17H2,1H3
InChIKeySLKMLVBUHDILOP-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627710
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094127
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 62615408
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cycloheptan-1-amine
CID 62611190
2-[[methyl(2-phenylethyl)amino]methyl]cyclopentan-1-amine
CID 65487102

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 62614610) is 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is CN(Cc1ccccc1Br)CC1CCCCC1N.
What is the InChIKey of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is SLKMLVBUHDILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-18(10-12-6-2-4-8-14(12)16)11-13-7-3-5-9-15(13)17/h2,4,6,8,13,15H,3,5,7,9-11,17H2,1H3.
What are the key properties of 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine?
2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 311.27 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62614610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).