(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine

C15H23NO2 — CID 78958674

IUPAC(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
SMILESCOC1CCCC(Oc2ccc([C@@H](C)N)cc2)C1
InChIInChI=1S/C15H23NO2/c1-11(16)12-6-8-13(9-7-12)18-15-5-3-4-14(10-15)17-2/h6-9,11,14-15H,3-5,10,16H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyNLISAAGGQRAACE-VCANKDNSSA-N
MW249.35 g/mol
LogP3.04
Rot. Bonds4

About (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine

(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine (PubChem CID 78958674) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
PubChem CID78958674
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine
SMILESCOC1CCCC(Oc2ccc([C@@H](C)N)cc2)C1
InChIInChI=1S/C15H23NO2/c1-11(16)12-6-8-13(9-7-12)18-15-5-3-4-14(10-15)17-2/h6-9,11,14-15H,3-5,10,16H2,1-2H3/t11-,14?,15?/m1/s1
InChIKeyNLISAAGGQRAACE-VCANKDNSSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine 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-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
(1S)-1-[4-(3-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78967085
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
(1S)-1-[4-(2,6-dimethyloxan-4-yl)oxyphenyl]ethanamine
CID 113369198
1-(3-methylcyclohexyl)oxy-4-propan-2-ylbenzene
CID 64764393
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
4-(4-cyclohexyloxyphenyl)pent-1-en-3-amine
CID 20976404
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine (CID 78958674) is (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine is COC1CCCC(Oc2ccc([C@@H](C)N)cc2)C1.
What is the InChIKey of (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine?
The InChIKey is NLISAAGGQRAACE-VCANKDNSSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16)12-6-8-13(9-7-12)18-15-5-3-4-14(10-15)17-2/h6-9,11,14-15H,3-5,10,16H2,1-2H3/t11-,14?,15?/m1/s1.
What are the key properties of (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine?
(1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine has a molecular weight of 249.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-methoxycyclohexyl)oxyphenyl]ethanamine is sourced from PubChem (CID 78958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).