N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine

C18H28BrN — CID 107985076

IUPACN-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1Br)C1CCCC(CC)C1
InChIInChI=1S/C18H28BrN/c1-4-14-9-7-10-15(12-14)18(20-5-2)16-11-6-8-13(3)17(16)19/h6,8,11,14-15,18,20H,4-5,7,9-10,12H2,1-3H3
InChIKeyLVBFSKQWCPWUFT-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.62
Rot. Bonds5

About N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine

N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine (PubChem CID 107985076) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
PubChem CID107985076
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC NameN-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1Br)C1CCCC(CC)C1
InChIInChI=1S/C18H28BrN/c1-4-14-9-7-10-15(12-14)18(20-5-2)16-11-6-8-13(3)17(16)19/h6,8,11,14-15,18,20H,4-5,7,9-10,12H2,1-3H3
InChIKeyLVBFSKQWCPWUFT-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 107985730
N-[(2-bromo-3,4-difluorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 107539188
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
[(3-ethylcyclohexyl)-(2-methylphenyl)methyl]hydrazine
CID 105200437
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
[(2-bromo-3-methylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 114024320
[(2-bromo-3-methylphenyl)-(3-methylcyclohexyl)methyl]hydrazine
CID 107986073
N-[(3-bromo-4-chlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 115567623
N-[(3-ethylcyclohexyl)-(2-ethylphenyl)methyl]propan-1-amine
CID 104992292
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
N-[(3-ethylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 81301647
1-(2-bromo-3-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 107984697

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine (CID 107985076) is N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine is CCNC(c1cccc(C)c1Br)C1CCCC(CC)C1.
What is the InChIKey of N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is LVBFSKQWCPWUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-4-14-9-7-10-15(12-14)18(20-5-2)16-11-6-8-13(3)17(16)19/h6,8,11,14-15,18,20H,4-5,7,9-10,12H2,1-3H3.
What are the key properties of N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine?
N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 338.33 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107985076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).