[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine

C15H23NO — CID 65050650

IUPAC[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine
SMILESCc1cc(C)cc(COC2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-17-15(11-16)5-3-4-6-15/h7-9H,3-6,10-11,16H2,1-2H3
InChIKeyCRBGWRWVLBBBIC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.09
Rot. Bonds4

About [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine

[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine (PubChem CID 65050650) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine
PubChem CID65050650
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine
SMILESCc1cc(C)cc(COC2(CN)CCCC2)c1
InChIInChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-17-15(11-16)5-3-4-6-15/h7-9H,3-6,10-11,16H2,1-2H3
InChIKeyCRBGWRWVLBBBIC-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine?
The IUPAC name of [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine (CID 65050650) is [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine?
The canonical SMILES for [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine is Cc1cc(C)cc(COC2(CN)CCCC2)c1.
What is the InChIKey of [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine?
The InChIKey is CRBGWRWVLBBBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-13(2)9-14(8-12)10-17-15(11-16)5-3-4-6-15/h7-9H,3-6,10-11,16H2,1-2H3.
What are the key properties of [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine?
[1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine has a molecular weight of 233.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dimethylphenyl)methoxy]cyclopentyl]methanamine is sourced from PubChem (CID 65050650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).