1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine

C17H26BrNO — CID 63532113

IUPAC1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeyAKWABQDXSBIJAF-UHFFFAOYSA-N
MW340.31 g/mol
LogP5.08
Rot. Bonds5

About 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine

1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine (PubChem CID 63532113) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
PubChem CID63532113
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
SMILESCCNC(C)c1ccc(OC2CCC(C)CC2)c(Br)c1
InChIInChI=1S/C17H26BrNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3
InChIKeyAKWABQDXSBIJAF-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305
(1R)-1-(3-bromo-4-methoxyphenyl)-N-ethylethanamine
CID 164536532
1-[3-bromo-4-(2-cyclobutylethoxy)phenyl]-N-ethylethanamine
CID 106202278
1-(3-bromo-4-octoxyphenyl)-N-ethylethanamine
CID 63533481
1-[3-bromo-4-(2-cyclopropylethoxy)phenyl]-N-ethylethanamine
CID 106202199
N-[(3-bromo-4-ethoxyphenyl)-(4-methylcyclohexyl)methyl]ethanamine
CID 104657639
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]propan-2-amine
CID 64775881
[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]methanol
CID 64747530
1-[3-bromo-4-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylethanamine
CID 62909723
4-[2-bromo-4-[(2S)-butan-2-yl]phenoxy]piperidine
CID 86322054

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine (CID 63532113) is 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine is CCNC(C)c1ccc(OC2CCC(C)CC2)c(Br)c1.
What is the InChIKey of 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
The InChIKey is AKWABQDXSBIJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-4-19-13(3)14-7-10-17(16(18)11-14)20-15-8-5-12(2)6-9-15/h7,10-13,15,19H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine?
1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine has a molecular weight of 340.31 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine is sourced from PubChem (CID 63532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).