3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine

C16H25NO — CID 170866480

IUPAC3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccccc1OC1CCCC1
InChIInChI=1S/C16H25NO/c1-17(2)13-7-9-14-8-3-6-12-16(14)18-15-10-4-5-11-15/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3
InChIKeyJGYDQDOAIMZMOT-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds6

About 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine

3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine (PubChem CID 170866480) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
PubChem CID170866480
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccccc1OC1CCCC1
InChIInChI=1S/C16H25NO/c1-17(2)13-7-9-14-8-3-6-12-16(14)18-15-10-4-5-11-15/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3
InChIKeyJGYDQDOAIMZMOT-UHFFFAOYSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
N-[(2-cyclohexyloxyphenyl)methyl]ethanamine
CID 43277237
2-[2-(3-methylcyclohexyl)oxyphenyl]ethanol
CID 107713283
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
1,2-dicyclohexyloxybenzene
CID 67331328
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
1-cyclohexyloxy-2-prop-2-enylbenzene
CID 14946074
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol
CID 110019478

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine (CID 170866480) is 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccccc1OC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is JGYDQDOAIMZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-17(2)13-7-9-14-8-3-6-12-16(14)18-15-10-4-5-11-15/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3.
What are the key properties of 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine?
3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170866480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).