N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine

C14H19NO — CID 115696394

IUPACN-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
SMILESCOc1ccc(CNC2CC=CC2)cc1C
InChIInChI=1S/C14H19NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3
InChIKeyJJVSYSWJKNZZBO-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.81
Rot. Bonds4

About N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine

N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine (PubChem CID 115696394) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
PubChem CID115696394
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine
SMILESCOc1ccc(CNC2CC=CC2)cc1C
InChIInChI=1S/C14H19NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3
InChIKeyJJVSYSWJKNZZBO-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methoxy-3-methylphenyl)methylamino]cyclohexan-1-ol
CID 43233134
1-cyclopropyl-N-[(4-methoxy-3-methylphenyl)methyl]piperidin-4-amine
CID 43234267
N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
5-[(4-methoxy-3-methylphenyl)methylamino]-1-methylpiperidin-2-one
CID 64655740
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
tert-butyl 3-[(4-methoxy-3-methylphenyl)methylamino]azetidine-1-carboxylate
CID 103748537
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
2-[ethyl-[3-[(4-methoxy-3-methylphenyl)methylamino]cyclobutyl]amino]acetic acid
CID 122042229
4-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 115149862
N-[(4-methoxy-3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43435311
N-[(4-methoxy-3-methylphenyl)methyl]adamantan-2-amine;oxalic acid
CID 17367800

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine (CID 115696394) is N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine is COc1ccc(CNC2CC=CC2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine?
The InChIKey is JJVSYSWJKNZZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-9-12(7-8-14(11)16-2)10-15-13-5-3-4-6-13/h3-4,7-9,13,15H,5-6,10H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine?
N-[(4-methoxy-3-methylphenyl)methyl]cyclopent-3-en-1-amine has a molecular weight of 217.31 g/mol, XLogP of 2.81, 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]cyclopent-3-en-1-amine is sourced from PubChem (CID 115696394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).