N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine

C16H24BrNO — CID 64743158

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyIDGMECAWHDVNBI-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.52
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 64743158) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID64743158
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(NCc2ccc(OC)c(Br)c2)C1
InChIInChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3
InChIKeyIDGMECAWHDVNBI-UHFFFAOYSA-N
XLogP4.52
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 ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 64741035
1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,3-diamine
CID 79458725
2-(3-bromo-4-methoxyphenyl)-1-(3-ethylcyclohexyl)ethanol
CID 65400931
N-[(4-bromo-3-methoxyphenyl)methyl]cyclobutanamine
CID 117219999
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701
N-[(3-bromo-4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397707
methyl 4-[[(3-ethylcyclohexyl)amino]methyl]-2-fluorobenzoate
CID 106700127
N-[(3-bromo-4-propoxyphenyl)methyl]cyclooctanamine
CID 29222775
N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64743162
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine (CID 64743158) is N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(NCc2ccc(OC)c(Br)c2)C1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is IDGMECAWHDVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-3-12-5-4-6-14(9-12)18-11-13-7-8-16(19-2)15(17)10-13/h7-8,10,12,14,18H,3-6,9,11H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 326.28 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 64743158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).