1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine

C18H29NO — CID 64750411

IUPAC1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
SMILESCCC1CCC(Oc2ccccc2C(CC)NC)CC1
InChIInChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)20-18-9-7-6-8-16(18)17(5-2)19-3/h6-9,14-15,17,19H,4-5,10-13H2,1-3H3
InChIKeyNCOVIRLSDQLYOY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.70
Rot. Bonds6

About 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine

1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine (PubChem CID 64750411) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
PubChem CID64750411
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine
SMILESCCC1CCC(Oc2ccccc2C(CC)NC)CC1
InChIInChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)20-18-9-7-6-8-16(18)17(5-2)19-3/h6-9,14-15,17,19H,4-5,10-13H2,1-3H3
InChIKeyNCOVIRLSDQLYOY-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine 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-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
1-[2-(1-methylpiperidin-4-yl)oxyphenyl]-N-propylpropan-1-amine
CID 115995663
N-ethyl-1-[2-(4-ethylcyclohexyl)oxy-5-methylphenyl]ethanamine
CID 64747468
N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(methylamino)propyl]aniline
CID 112678176
1-(2-cyclohexyloxyphenyl)-N-methylethanamine
CID 43279544
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
1-[2-(2-butoxyethoxy)phenyl]-N-methylpropan-1-amine
CID 61483273
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine?
The IUPAC name of 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine (CID 64750411) is 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine is CCC1CCC(Oc2ccccc2C(CC)NC)CC1.
What is the InChIKey of 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine?
The InChIKey is NCOVIRLSDQLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-14-10-12-15(13-11-14)20-18-9-7-6-8-16(18)17(5-2)19-3/h6-9,14-15,17,19H,4-5,10-13H2,1-3H3.
What are the key properties of 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine?
1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylcyclohexyl)oxyphenyl]-N-methylpropan-1-amine is sourced from PubChem (CID 64750411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).