2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine

C18H29NO2 — CID 63474556

IUPAC2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Oc1ccc(OCCC)cc1
InChIInChI=1S/C18H29NO2/c1-3-13-19-17-7-5-6-8-18(17)21-16-11-9-15(10-12-16)20-14-4-2/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyYSGAFGZOQDZFFC-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.16
Rot. Bonds8

About 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine

2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine (PubChem CID 63474556) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
PubChem CID63474556
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Oc1ccc(OCCC)cc1
InChIInChI=1S/C18H29NO2/c1-3-13-19-17-7-5-6-8-18(17)21-16-11-9-15(10-12-16)20-14-4-2/h9-12,17-19H,3-8,13-14H2,1-2H3
InChIKeyYSGAFGZOQDZFFC-UHFFFAOYSA-N
XLogP4.16
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-propylcycloheptan-1-amine
CID 63501080
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
N-methyl-2-(4-propoxyphenyl)cyclohexan-1-amine
CID 55120346
2-(2-fluoro-3-methylphenoxy)-N-propylcycloheptan-1-amine
CID 107657388
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
N-methyl-N-[2-oxo-2-[[(1R,2S)-2-(4-propoxyphenoxy)cyclohexyl]amino]ethyl]benzamide
CID 95770732
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-methyl-N-[(4-propoxyphenyl)methyl]cyclopentan-1-amine
CID 63277985
2-(4-tert-butyl-2-methylphenoxy)-N-propylcyclopentan-1-amine
CID 63499440
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine (CID 63474556) is 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Oc1ccc(OCCC)cc1.
What is the InChIKey of 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine?
The InChIKey is YSGAFGZOQDZFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-13-19-17-7-5-6-8-18(17)21-16-11-9-15(10-12-16)20-14-4-2/h9-12,17-19H,3-8,13-14H2,1-2H3.
What are the key properties of 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine?
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 63474556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).