2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine

C18H29NO — CID 79572785

IUPAC2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H29NO/c1-4-9-19-18-7-5-6-16(18)8-10-20-17-12-14(2)11-15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3
InChIKeyOZHGQDKPJJSCSA-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds7

About 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine

2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine (PubChem CID 79572785) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
PubChem CID79572785
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CCOc1cc(C)cc(C)c1
InChIInChI=1S/C18H29NO/c1-4-9-19-18-7-5-6-16(18)8-10-20-17-12-14(2)11-15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3
InChIKeyOZHGQDKPJJSCSA-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentan-1-amine
CID 79573008
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79576350
2-[2-(5-fluoro-2-methylphenoxy)ethyl]-N-propylcyclopentan-1-amine
CID 102981137
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-[2-(3-bromophenoxy)ethyl]-N-propylcycloheptan-1-amine
CID 63403474
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
2-[2-(2-methylbutan-2-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573262
2-[2-(4-methylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
CID 79572685
N,3,5-trimethyl-N-[[2-(propylamino)cyclohexyl]methyl]aniline
CID 63494461
2-[(2,5-dimethylphenyl)methyl]-N-propylcyclopentan-1-amine
CID 54957693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine (CID 79572785) is 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
The InChIKey is OZHGQDKPJJSCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-9-19-18-7-5-6-16(18)8-10-20-17-12-14(2)11-15(3)13-17/h11-13,16,18-19H,4-10H2,1-3H3.
What are the key properties of 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine?
2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenoxy)ethyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79572785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).