N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine

C16H24BrNO — CID 60687002

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1ccc(OC)c(Br)c1)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18(14-7-5-4-6-8-14)12-13-9-10-16(19-2)15(17)11-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyWIFNUHZZOPAZPW-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.61
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine

N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine (PubChem CID 60687002) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
PubChem CID60687002
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1ccc(OC)c(Br)c1)C1CCCCC1
InChIInChI=1S/C16H24BrNO/c1-3-18(14-7-5-4-6-8-14)12-13-9-10-16(19-2)15(17)11-13/h9-11,14H,3-8,12H2,1-2H3
InChIKeyWIFNUHZZOPAZPW-UHFFFAOYSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[cyclopentyl(ethyl)amino]methyl]-2-methoxybenzenecarbothioamide
CID 65339590
N-(2-bromoethyl)-N-[(3-bromo-4-methoxyphenyl)methyl]cyclopropanamine
CID 80670003
2-[(3-bromo-4-methoxyphenyl)methyl-cyclopentylamino]-N'-hydroxyethanimidamide
CID 77044469
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621675
N-[(3-bromo-4-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624874
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79120433
N-[(3-bromo-4-methoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 2838335
4-[(3-bromo-4-methoxyphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149526
N-(2-chloroethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexanamine
CID 63387062
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine (CID 60687002) is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine is CCN(Cc1ccc(OC)c(Br)c1)C1CCCCC1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine?
The InChIKey is WIFNUHZZOPAZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-18(14-7-5-4-6-8-14)12-13-9-10-16(19-2)15(17)11-13/h9-11,14H,3-8,12H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine?
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine has a molecular weight of 326.28 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 60687002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).