3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine

C18H29NO2 — CID 107664429

IUPAC3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(CC)cc2OC)C1
InChIInChI=1S/C18H29NO2/c1-4-11-19-15-7-6-8-16(13-15)21-17-10-9-14(5-2)12-18(17)20-3/h9-10,12,15-16,19H,4-8,11,13H2,1-3H3
InChIKeyVHXDRVZUGBDZNW-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.95
Rot. Bonds7

About 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine

3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine (PubChem CID 107664429) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
PubChem CID107664429
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(CC)cc2OC)C1
InChIInChI=1S/C18H29NO2/c1-4-11-19-15-7-6-8-16(13-15)21-17-10-9-14(5-2)12-18(17)20-3/h9-10,12,15-16,19H,4-8,11,13H2,1-3H3
InChIKeyVHXDRVZUGBDZNW-UHFFFAOYSA-N
XLogP3.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
CID 79617884
3-(4-ethyl-2-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 107669459
N-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
3-(4-ethyl-2-methoxyphenoxy)cyclobutan-1-ol
CID 107669388
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylcyclohexan-1-amine
CID 2846430
2-cyclopentyloxy-4-ethyl-1-methylbenzene
CID 121457691
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
3-(2,3-dihydro-1H-inden-5-yloxy)-N-propylcyclohexan-1-amine
CID 79619329
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
trans-(1R,3R)-3-[(4-methyl-1H-indazol-5-yl)oxy]-N-propylcyclohexan-1-amine
CID 69435918
(3R)-3-(4-ethyl-2-methoxyphenoxy)pyrrolidine
CID 107664998
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine (CID 107664429) is 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine is CCCNC1CCCC(Oc2ccc(CC)cc2OC)C1.
What is the InChIKey of 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine?
The InChIKey is VHXDRVZUGBDZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-11-19-15-7-6-8-16(13-15)21-17-10-9-14(5-2)12-18(17)20-3/h9-10,12,15-16,19H,4-8,11,13H2,1-3H3.
What are the key properties of 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine?
3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107664429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).