N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine

C15H23NO — CID 55171660

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C)cc1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-14(11)16-10-13-7-8-15(17-3)12(2)9-13/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyIDXAQZVWAWEIQT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine

N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 55171660) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
PubChem CID55171660
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
SMILESCOc1ccc(CNC2CCCC2C)cc1C
InChIInChI=1S/C15H23NO/c1-11-5-4-6-14(11)16-10-13-7-8-15(17-3)12(2)9-13/h7-9,11,14,16H,4-6,10H2,1-3H3
InChIKeyIDXAQZVWAWEIQT-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine (CID 55171660) is N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine is COc1ccc(CNC2CCCC2C)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is IDXAQZVWAWEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-5-4-6-14(11)16-10-13-7-8-15(17-3)12(2)9-13/h7-9,11,14,16H,4-6,10H2,1-3H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 55171660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).