3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine

C15H23NO — CID 79643944

IUPAC3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
SMILESCc1ccc(C(C)C)c(OC2CCC(N)C2)c1
InChIInChI=1S/C15H23NO/c1-10(2)14-7-4-11(3)8-15(14)17-13-6-5-12(16)9-13/h4,7-8,10,12-13H,5-6,9,16H2,1-3H3
InChIKeyKMDMZGNFOBKCCM-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.38
Rot. Bonds3

About 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine

3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine (PubChem CID 79643944) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
PubChem CID79643944
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine
SMILESCc1ccc(C(C)C)c(OC2CCC(N)C2)c1
InChIInChI=1S/C15H23NO/c1-10(2)14-7-4-11(3)8-15(14)17-13-6-5-12(16)9-13/h4,7-8,10,12-13H,5-6,9,16H2,1-3H3
InChIKeyKMDMZGNFOBKCCM-UHFFFAOYSA-N
XLogP3.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-amine
CID 79618661
4-(5-methyl-2-propan-2-ylphenoxy)piperidine
CID 24708982
(1R)-1-[2-(3,4-dimethylcyclohexyl)oxy-4-methylphenyl]ethanol
CID 64738581
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
2-(5-methyl-2-propan-2-ylphenoxy)-4-propan-2-ylcyclohexan-1-ol
CID 63472349
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
3-(2-butan-2-ylphenoxy)cyclopentan-1-amine
CID 79643132
3,5-dimethyl-2-(5-methyl-2-propan-2-ylphenoxy)cyclohexan-1-ol
CID 64750729
2-(5-methyl-2-propan-2-ylphenoxy)-2,3-dihydro-1H-inden-1-amine
CID 43100217
4-(5-methyl-2-propan-2-ylphenoxy)butan-2-amine
CID 43118963
(1R)-1-[2-(1,1-dioxothiolan-3-yl)oxy-4-methylphenyl]ethanamine
CID 55246862

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine?
The IUPAC name of 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine (CID 79643944) is 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine is Cc1ccc(C(C)C)c(OC2CCC(N)C2)c1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine?
The InChIKey is KMDMZGNFOBKCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)14-7-4-11(3)8-15(14)17-13-6-5-12(16)9-13/h4,7-8,10,12-13H,5-6,9,16H2,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine?
3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylphenoxy)cyclopentan-1-amine is sourced from PubChem (CID 79643944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).