N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

C17H25NO — CID 62505245

IUPACN-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO/c1-4-11-18-17(14-7-5-6-8-14)15-12-13(2)9-10-16(15)19-3/h7,9-10,12,17-18H,4-6,8,11H2,1-3H3
InChIKeyWJCDQRQJCKJCOM-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.15
Rot. Bonds6

About N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine

N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (PubChem CID 62505245) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
PubChem CID62505245
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCC1)c1cc(C)ccc1OC
InChIInChI=1S/C17H25NO/c1-4-11-18-17(14-7-5-6-8-14)15-12-13(2)9-10-16(15)19-3/h7,9-10,12,17-18H,4-6,8,11H2,1-3H3
InChIKeyWJCDQRQJCKJCOM-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[(4-bromo-2-methoxyphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 115368982
N-[(2-chloro-4-methylphenyl)-(cyclohepten-1-yl)methyl]propan-1-amine
CID 106859010
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
N-[3,4-dihydro-2H-pyran-5-yl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 105033280
N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
N-[cyclohexen-1-yl-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 81477478
N-[(2-methoxy-5-methylphenyl)-(2-methyl-4-pyridinyl)methyl]propan-1-amine
CID 106755261
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
N-[(2-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]propan-1-amine
CID 107982008
N-[cyclohexen-1-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 65433819
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 81471927

Frequently Asked Questions

What is the IUPAC name of N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine (CID 62505245) is N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is CCCNC(C1=CCCC1)c1cc(C)ccc1OC.
What is the InChIKey of N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
The InChIKey is WJCDQRQJCKJCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-11-18-17(14-7-5-6-8-14)15-12-13(2)9-10-16(15)19-3/h7,9-10,12,17-18H,4-6,8,11H2,1-3H3.
What are the key properties of N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine?
N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopenten-1-yl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).