3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine

C18H29NO — CID 65443445

IUPAC3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCc2ccc(OC)cc2)C1C
InChIInChI=1S/C18H29NO/c1-4-13-19-18-12-9-16(14(18)2)8-5-15-6-10-17(20-3)11-7-15/h6-7,10-11,14,16,18-19H,4-5,8-9,12-13H2,1-3H3
InChIKeyJURYYOFOAQTMLZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.04
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine

3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine (PubChem CID 65443445) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
PubChem CID65443445
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(CCc2ccc(OC)cc2)C1C
InChIInChI=1S/C18H29NO/c1-4-13-19-18-12-9-16(14(18)2)8-5-15-6-10-17(20-3)11-7-15/h6-7,10-11,14,16,18-19H,4-5,8-9,12-13H2,1-3H3
InChIKeyJURYYOFOAQTMLZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
2-methyl-3-[(4-methylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 64909011
3-[2-(4-methoxyphenyl)ethyl]-N-propylcyclohexan-1-amine
CID 65441665
3-[(5-ethylthiophen-2-yl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64908131
3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 104795136
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
3-ethyl-2-methyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114333391
trans-(1R,2R)-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 791634
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
4-ethyl-2-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 79422404
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine (CID 65443445) is 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine is CCCNC1CCC(CCc2ccc(OC)cc2)C1C.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine?
The InChIKey is JURYYOFOAQTMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-13-19-18-12-9-16(14(18)2)8-5-15-6-10-17(20-3)11-7-15/h6-7,10-11,14,16,18-19H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine?
3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 65443445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).