2-(2-Phenylethenyl)cyclopropan-1-amine

C11H13N — CID 122640920

IUPAC2-[(E)-2-phenylethenyl]cyclopropan-1-amine
SMILESC1C(C1N)/C=C/C2=CC=CC=C2
InChIInChI=1S/C11H13N/c12-11-8-10(11)7-6-9-4-2-1-3-5-9/h1-7,10-11H,8,12H2/b7-6+
InChIKeyTZMYYZQXSJIVJU-VOTSOKGWSA-N
MW159.23 g/mol
LogP1.90
Rot. Bonds2

About 2-(2-Phenylethenyl)cyclopropan-1-amine

2-(2-Phenylethenyl)cyclopropan-1-amine (PubChem CID 122640920) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name2-(2-Phenylethenyl)cyclopropan-1-amine
PubChem CID122640920
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-[(E)-2-phenylethenyl]cyclopropan-1-amine
SMILESC1C(C1N)/C=C/C2=CC=CC=C2
InChIInChI=1S/C11H13N/c12-11-8-10(11)7-6-9-4-2-1-3-5-9/h1-7,10-11H,8,12H2/b7-6+
InChIKeyTZMYYZQXSJIVJU-VOTSOKGWSA-N
XLogP1.90
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity168

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-Phenylpropylamine
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1-Phenethylamine, (-)-
CID 75818
1-Phenethylamine, (+)-
CID 643189

Frequently Asked Questions

What is the IUPAC name of 2-(2-Phenylethenyl)cyclopropan-1-amine?
The IUPAC name of 2-(2-Phenylethenyl)cyclopropan-1-amine (CID 122640920) is 2-[(E)-2-phenylethenyl]cyclopropan-1-amine.
What is the SMILES notation for 2-(2-Phenylethenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(2-Phenylethenyl)cyclopropan-1-amine is C1C(C1N)/C=C/C2=CC=CC=C2.
What is the InChIKey of 2-(2-Phenylethenyl)cyclopropan-1-amine?
The InChIKey is TZMYYZQXSJIVJU-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13N/c12-11-8-10(11)7-6-9-4-2-1-3-5-9/h1-7,10-11H,8,12H2/b7-6+.
What are the key properties of 2-(2-Phenylethenyl)cyclopropan-1-amine?
2-(2-Phenylethenyl)cyclopropan-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-Phenylethenyl)cyclopropan-1-amine is sourced from PubChem (CID 122640920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).