2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine

C18H28BrNO — CID 64744560

IUPAC2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNCC(OC1CCC(C)C(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-4-20-12-18(15-6-8-16(19)9-7-15)21-17-10-5-13(2)14(3)11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3
InChIKeyVSJKOTSWXQXLTH-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.94
Rot. Bonds6

About 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine

2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine (PubChem CID 64744560) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
PubChem CID64744560
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine
SMILESCCNCC(OC1CCC(C)C(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C18H28BrNO/c1-4-20-12-18(15-6-8-16(19)9-7-15)21-17-10-5-13(2)14(3)11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3
InChIKeyVSJKOTSWXQXLTH-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-methyl-2-(4-methylcyclohexyl)oxyethanamine
CID 55036283
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
2-(4-bromophenyl)-2-(2-cyclobutylethoxy)-N-ethylethanamine
CID 106205111
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-3-methylbutan-1-amine
CID 64738125
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937
2-(4-bromophenyl)-N-ethyl-2-(3-methoxypropoxy)ethanamine
CID 62106282
N-[[5-bromo-2-(3,4-dimethylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64739355
2-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-(3-methylphenyl)ethanamine
CID 64745158
N-[2-(4-methylcyclohexyl)oxy-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63475863
2-(4-bromophenyl)-2-(3-methylcyclohexyl)oxyethanamine
CID 55015654
2-(4-bromophenyl)-N-ethyl-2-phenylmethoxyethanamine
CID 62107358
N-[2-(4-fluorophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-1-amine
CID 63474259

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine (CID 64744560) is 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine is CCNCC(OC1CCC(C)C(C)C1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
The InChIKey is VSJKOTSWXQXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-4-20-12-18(15-6-8-16(19)9-7-15)21-17-10-5-13(2)14(3)11-17/h6-9,13-14,17-18,20H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine?
2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine has a molecular weight of 354.33 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-(3,4-dimethylcyclohexyl)oxy-N-ethylethanamine is sourced from PubChem (CID 64744560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).