3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine

C15H23NO — CID 95449970

IUPAC3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-16-12-4-5-13-8-10-15(11-9-13)17-14-6-2-3-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyRQMADFVGHCUKST-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.16
Rot. Bonds6

About 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine

3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine (PubChem CID 95449970) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
PubChem CID95449970
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine
SMILESCNCCCc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H23NO/c1-16-12-4-5-13-8-10-15(11-9-13)17-14-6-2-3-7-14/h8-11,14,16H,2-7,12H2,1H3
InChIKeyRQMADFVGHCUKST-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyloxy-4-propylbenzene
CID 178141621
3-(4-cyclobutylphenyl)-N-methylpropan-1-amine
CID 116506759
4-(4-cyclohexyloxyphenyl)-N-methylbutan-2-amine
CID 43279731
4-(4-cyclopentyloxyphenyl)butan-2-amine
CID 16782847
3-(4-cyclopentyloxyphenyl)propanenitrile
CID 82471335
1-[2-(4-cyclopentyloxyphenyl)ethyl]-3-propan-2-ylurea
CID 110775776
N-[(4-cyclopentyloxyphenyl)methyl]cyclopropanamine
CID 39248013
N-[(4-cyclopentyloxyphenyl)methyl]cyclopentanamine
CID 39360486
4-cycloheptyloxy-N-methylaniline
CID 82930112
1-cyclohexyloxy-4-hexylbenzene;propane-2-sulfinate
CID 91223415
1-[2-(4-cyclopentyloxyphenyl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227776
N-[(4-cyclopentyloxyphenyl)methyl]cyclohexanamine
CID 39372881

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine (CID 95449970) is 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine is CNCCCc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine?
The InChIKey is RQMADFVGHCUKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-16-12-4-5-13-8-10-15(11-9-13)17-14-6-2-3-7-14/h8-11,14,16H,2-7,12H2,1H3.
What are the key properties of 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine?
3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentyloxyphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 95449970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).