N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine

C17H27NO2 — CID 62597520

IUPACN-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
SMILESCCCOc1ccc(OC(C)CNC2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-12-19-16-8-10-17(11-9-16)20-14(2)13-18-15-6-4-5-7-15/h8-11,14-15,18H,3-7,12-13H2,1-2H3
InChIKeyTZMCRQPIBSUNIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.77
Rot. Bonds8

About N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine

N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine (PubChem CID 62597520) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
PubChem CID62597520
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
SMILESCCCOc1ccc(OC(C)CNC2CCCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-12-19-16-8-10-17(11-9-16)20-14(2)13-18-15-6-4-5-7-15/h8-11,14-15,18H,3-7,12-13H2,1-2H3
InChIKeyTZMCRQPIBSUNIK-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclopentanamine
CID 65201303
3-[1-(cyclopentylamino)propan-2-yloxy]-N,N-diethylaniline
CID 62583584
3-methyl-N-[2-(4-propoxyphenoxy)propyl]butan-1-amine
CID 63517499
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 70674125

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine (CID 62597520) is N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine is CCCOc1ccc(OC(C)CNC2CCCC2)cc1.
What is the InChIKey of N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine?
The InChIKey is TZMCRQPIBSUNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-12-19-16-8-10-17(11-9-16)20-14(2)13-18-15-6-4-5-7-15/h8-11,14-15,18H,3-7,12-13H2,1-2H3.
What are the key properties of N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine?
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine has a molecular weight of 277.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine is sourced from PubChem (CID 62597520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).