N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine

C16H24BrNO — CID 60787800

IUPACN-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h9-12,16,18H,3-8H2,1-2H3
InChIKeyAXEPWIQIIMWPMG-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.69
Rot. Bonds5

About N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine

N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine (PubChem CID 60787800) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
PubChem CID60787800
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Br)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h9-12,16,18H,3-8H2,1-2H3
InChIKeyAXEPWIQIIMWPMG-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-methoxyphenyl)-(oxan-4-yl)methyl]ethanamine
CID 62905667
N-[cycloheptyl-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 63503561
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
[bromo-(2-bromo-4-methoxyphenyl)methyl]cyclooctane
CID 65021185
N-[cyclohexyl-(2,4-dimethoxyphenyl)methyl]propan-1-amine
CID 43496062
N-[(4-methoxy-2-methylphenyl)-(3-methylcyclohexyl)methyl]ethanamine
CID 65313720
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
CID 105330710

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine (CID 60787800) is N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine is CCNC(c1ccc(OC)cc1Br)C1CCCCC1.
What is the InChIKey of N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine?
The InChIKey is AXEPWIQIIMWPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18-16(12-7-5-4-6-8-12)14-10-9-13(19-2)11-15(14)17/h9-12,16,18H,3-8H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine?
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine is sourced from PubChem (CID 60787800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).