3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine

C17H27NO2 — CID 170865862

IUPAC3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H27NO2/c1-18(2)12-6-7-14-10-11-16(19-3)17(13-14)20-15-8-4-5-9-15/h10-11,13,15H,4-9,12H2,1-3H3
InChIKeySTTIBUIGXIRSON-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.51
Rot. Bonds7

About 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine

3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170865862) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170865862
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCOc1ccc(CCCN(C)C)cc1OC1CCCC1
InChIInChI=1S/C17H27NO2/c1-18(2)12-6-7-14-10-11-16(19-3)17(13-14)20-15-8-4-5-9-15/h10-11,13,15H,4-9,12H2,1-3H3
InChIKeySTTIBUIGXIRSON-UHFFFAOYSA-N
XLogP3.51
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-[(3,4-dimethoxyphenyl)methyl]-N,N-diethylpropane-1,3-diamine
CID 110194299
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
N'-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N,N-dimethyl-N'-quinazolin-4-ylpropane-1,3-diamine
CID 110194319
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
N'-(4-acetamidophenyl)-N'-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]oxamide
CID 57131253

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine (CID 170865862) is 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine is COc1ccc(CCCN(C)C)cc1OC1CCCC1.
What is the InChIKey of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is STTIBUIGXIRSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(2)12-6-7-14-10-11-16(19-3)17(13-14)20-15-8-4-5-9-15/h10-11,13,15H,4-9,12H2,1-3H3.
What are the key properties of 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine?
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).