3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine

C17H27NO — CID 79617884

IUPAC3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(CC)cc2)C1
InChIInChI=1S/C17H27NO/c1-3-12-18-15-6-5-7-17(13-15)19-16-10-8-14(4-2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3
InChIKeyFJEDSTBJLATQLV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds6

About 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine

3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine (PubChem CID 79617884) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
PubChem CID79617884
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(Oc2ccc(CC)cc2)C1
InChIInChI=1S/C17H27NO/c1-3-12-18-15-6-5-7-17(13-15)19-16-10-8-14(4-2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3
InChIKeyFJEDSTBJLATQLV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-ethyl-2-methoxyphenoxy)-N-propylcyclohexan-1-amine
CID 107664429
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
N-propyl-3-quinolin-7-yloxycyclohexan-1-amine
CID 107313463
N-[(4-ethylphenyl)methyl]-3-methoxycyclohexan-1-amine
CID 113286117
1-ethyl-4-(4-methylcyclohexyl)oxybenzene
CID 21137256
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
1-cyclobutyloxy-4-propylbenzene
CID 178141621
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
CID 66359704

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine (CID 79617884) is 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine is CCCNC1CCCC(Oc2ccc(CC)cc2)C1.
What is the InChIKey of 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine?
The InChIKey is FJEDSTBJLATQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-12-18-15-6-5-7-17(13-15)19-16-10-8-14(4-2)9-11-16/h8-11,15,17-18H,3-7,12-13H2,1-2H3.
What are the key properties of 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine?
3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79617884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).