N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine

C16H23NO — CID 65353202

IUPACN-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2OC)CC=CC1
InChIInChI=1S/C16H23NO/c1-3-12-17-13-16(10-6-7-11-16)14-8-4-5-9-15(14)18-2/h4-9,17H,3,10-13H2,1-2H3
InChIKeyIAFFGNJYRKFLJH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.28
Rot. Bonds6

About N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine

N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine (PubChem CID 65353202) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
PubChem CID65353202
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine
SMILESCCCNCC1(c2ccccc2OC)CC=CC1
InChIInChI=1S/C16H23NO/c1-3-12-17-13-16(10-6-7-11-16)14-8-4-5-9-15(14)18-2/h4-9,17H,3,10-13H2,1-2H3
InChIKeyIAFFGNJYRKFLJH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine (CID 65353202) is N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine is CCCNCC1(c2ccccc2OC)CC=CC1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
The InChIKey is IAFFGNJYRKFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-12-17-13-16(10-6-7-11-16)14-8-4-5-9-15(14)18-2/h4-9,17H,3,10-13H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine?
N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)cyclopent-3-en-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 65353202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).