2-(1-phenylethoxy)-N-propylcyclopentan-1-amine

C16H25NO — CID 55036153

IUPAC2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1OC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-12-17-15-10-7-11-16(15)18-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyWJOWGJIDHSDMOI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds6

About 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine

2-(1-phenylethoxy)-N-propylcyclopentan-1-amine (PubChem CID 55036153) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
PubChem CID55036153
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(1-phenylethoxy)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1OC(C)c1ccccc1
InChIInChI=1S/C16H25NO/c1-3-12-17-15-10-7-11-16(15)18-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3
InChIKeyWJOWGJIDHSDMOI-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1-phenylethoxy)cyclopentan-1-amine
CID 62109252
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
CID 174463045
1-bromo-2-(1-phenylethoxy)cycloheptane
CID 55193248
N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
CID 66274569
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-ethyl-N-(3-phenylbutyl)cyclopentan-1-amine
CID 113483440
2-[(4-chlorophenyl)methoxy]-N-propylcyclopentan-1-amine
CID 65124598
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
CID 94302774
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-(4-propoxyphenoxy)-N-propylcyclohexan-1-amine
CID 63474556
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine (CID 55036153) is 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine is CCCNC1CCCC1OC(C)c1ccccc1.
What is the InChIKey of 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine?
The InChIKey is WJOWGJIDHSDMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-12-17-15-10-7-11-16(15)18-13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12H2,1-2H3.
What are the key properties of 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine?
2-(1-phenylethoxy)-N-propylcyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethoxy)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 55036153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).