2-(cyclopenten-1-yl)-1-phenylethanamine

C13H17N — CID 131037986

IUPAC2-(cyclopenten-1-yl)-1-phenylethanamine
SMILESNC(CC1=CCCC1)c1ccccc1
InChIInChI=1S/C13H17N/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9,13H,4-5,7,10,14H2
InChIKeyMRZDROAHSNVGNQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.19
Rot. Bonds3

About 2-(cyclopenten-1-yl)-1-phenylethanamine

2-(cyclopenten-1-yl)-1-phenylethanamine (PubChem CID 131037986) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-phenylethanamine
PubChem CID131037986
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name2-(cyclopenten-1-yl)-1-phenylethanamine
SMILESNC(CC1=CCCC1)c1ccccc1
InChIInChI=1S/C13H17N/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9,13H,4-5,7,10,14H2
InChIKeyMRZDROAHSNVGNQ-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Phenethylamine
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Methamphetamine
CID 10836
Benzylamine
CID 7504
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CID 5530
Phentermine
CID 4771
1,3-Benzenedimethanamine
CID 15133
Levmetamfetamine
CID 36604
1-Phenethylamine
CID 7408
(-)-Amphetamine
CID 32893
(+-)-Norfenfluramine
CID 15897

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-phenylethanamine?
The IUPAC name of 2-(cyclopenten-1-yl)-1-phenylethanamine (CID 131037986) is 2-(cyclopenten-1-yl)-1-phenylethanamine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-phenylethanamine?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-phenylethanamine is NC(CC1=CCCC1)c1ccccc1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-phenylethanamine?
The InChIKey is MRZDROAHSNVGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c14-13(10-11-6-4-5-7-11)12-8-2-1-3-9-12/h1-3,6,8-9,13H,4-5,7,10,14H2.
What are the key properties of 2-(cyclopenten-1-yl)-1-phenylethanamine?
2-(cyclopenten-1-yl)-1-phenylethanamine has a molecular weight of 187.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-phenylethanamine is sourced from PubChem (CID 131037986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).