3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine

C17H27NO — CID 112516911

IUPAC3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
SMILESCCc1cc(C(CCN)C2CCCC2)ccc1OC
InChIInChI=1S/C17H27NO/c1-3-13-12-15(8-9-17(13)19-2)16(10-11-18)14-6-4-5-7-14/h8-9,12,14,16H,3-7,10-11,18H2,1-2H3
InChIKeyKFSFGDIJAIXIGP-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.88
Rot. Bonds6

About 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine

3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine (PubChem CID 112516911) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
PubChem CID112516911
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine
SMILESCCc1cc(C(CCN)C2CCCC2)ccc1OC
InChIInChI=1S/C17H27NO/c1-3-13-12-15(8-9-17(13)19-2)16(10-11-18)14-6-4-5-7-14/h8-9,12,14,16H,3-7,10-11,18H2,1-2H3
InChIKeyKFSFGDIJAIXIGP-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclobutyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112515939
3-cyclopentyl-3-(4-methylphenyl)propan-1-amine
CID 82079151
3-cyclopropyl-3-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 112512208
3-(4-butan-2-ylphenyl)-3-cyclopentylpropan-1-amine
CID 112516776
2-cyclobutyl-2-(4-methoxy-3-methylphenyl)ethanamine
CID 82024046
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
2-cyclopentyl-2-(3,4-diethoxyphenyl)ethanamine
CID 83973829
2-cyclohexyl-2-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 82924006
3-[dimethylamino-(3-ethyl-4-methoxyphenyl)methyl]cyclobutan-1-amine
CID 116907304
(3-ethyl-4-methoxyphenyl)-piperidin-4-ylmethanol
CID 82297068
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine (CID 112516911) is 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine is CCc1cc(C(CCN)C2CCCC2)ccc1OC.
What is the InChIKey of 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine?
The InChIKey is KFSFGDIJAIXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-13-12-15(8-9-17(13)19-2)16(10-11-18)14-6-4-5-7-14/h8-9,12,14,16H,3-7,10-11,18H2,1-2H3.
What are the key properties of 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine?
3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(3-ethyl-4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 112516911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).