N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine

C16H23NO — CID 112749810

IUPACN-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1C1=CCCC1
InChIInChI=1S/C16H23NO/c1-3-10-17-12-14-8-9-15(18-2)11-16(14)13-6-4-5-7-13/h6,8-9,11,17H,3-5,7,10,12H2,1-2H3
InChIKeyUVHWRLYMHXZXPN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds6

About N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine

N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine (PubChem CID 112749810) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
PubChem CID112749810
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OC)cc1C1=CCCC1
InChIInChI=1S/C16H23NO/c1-3-10-17-12-14-8-9-15(18-2)11-16(14)13-6-4-5-7-13/h6,8-9,11,17H,3-5,7,10,12H2,1-2H3
InChIKeyUVHWRLYMHXZXPN-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(cyclopenten-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 112749809
N-[[2-(4-methoxy-2-methylphenyl)phenyl]methyl]propan-1-amine
CID 61032764
2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[[5-methoxy-2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64748656
N-[(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)methyl]propan-1-amine
CID 114619741
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
N-[2-(2,5-dimethoxyphenyl)ethyl]propan-1-amine
CID 39245762
N-[[2-(cyclopentylmethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 61342420
N-[[2-(2-fluoroethoxy)-5-methoxyphenyl]methyl]propan-1-amine
CID 80698832
N-[[2-(ethoxymethoxy)-4-methoxyphenyl]methyl]propan-1-amine
CID 65369345
N-[[4-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 61267983
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine (CID 112749810) is N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine is CCCNCc1ccc(OC)cc1C1=CCCC1.
What is the InChIKey of N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is UVHWRLYMHXZXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-10-17-12-14-8-9-15(18-2)11-16(14)13-6-4-5-7-13/h6,8-9,11,17H,3-5,7,10,12H2,1-2H3.
What are the key properties of N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine?
N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopenten-1-yl)-4-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 112749810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).