N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine

C16H24BrNO — CID 55192223

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CN(C)C1CCCCC1C
InChIInChI=1S/C16H24BrNO/c1-12-6-4-5-7-15(12)18(2)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15H,4-7,11H2,1-3H3
InChIKeyQWEZSUUOQXUYMD-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.47
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine (PubChem CID 55192223) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
PubChem CID55192223
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine
SMILESCOc1ccc(Br)cc1CN(C)C1CCCCC1C
InChIInChI=1S/C16H24BrNO/c1-12-6-4-5-7-15(12)18(2)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15H,4-7,11H2,1-3H3
InChIKeyQWEZSUUOQXUYMD-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-5-[[methyl-(2-methylcyclohexyl)amino]methyl]aniline
CID 55000180
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,2-dimethylcyclohexan-1-amine
CID 106785394
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-chloroethyl)cyclopentanamine
CID 55182777
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297828
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 102636476
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129377488
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CID 60774401
2-[(5-bromo-2-methoxyphenyl)methyl-cyclohexylamino]ethanol
CID 60694517
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
N-[(5-bromo-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 115641197
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine (CID 55192223) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine is COc1ccc(Br)cc1CN(C)C1CCCCC1C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
The InChIKey is QWEZSUUOQXUYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12-6-4-5-7-15(12)18(2)11-13-10-14(17)8-9-16(13)19-3/h8-10,12,15H,4-7,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 55192223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).