N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine

C14H21NO — CID 791981

IUPACN-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3
InChIKeyBTBKZZCPEWBOBI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.04
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine

N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine (PubChem CID 791981) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine
PubChem CID791981
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine
SMILESCOc1ccc(CNC2CCCC2)cc1C
InChIInChI=1S/C14H21NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3
InChIKeyBTBKZZCPEWBOBI-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.04
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]cyclopentanamine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine (CID 791981) is N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine is COc1ccc(CNC2CCCC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine?
The InChIKey is BTBKZZCPEWBOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h7-9,13,15H,3-6,10H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine?
N-[(4-methoxy-3-methylphenyl)methyl]cyclopentanamine has a molecular weight of 219.33 g/mol, XLogP of 3.04, 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]cyclopentanamine is sourced from PubChem (CID 791981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).