(S)-cyclopropyl-(2-ethenylphenyl)methanamine

C12H15N — CID 131218934

IUPAC(S)-cyclopropyl-(2-ethenylphenyl)methanamine
SMILESC=Cc1ccccc1[C@@H](N)C1CC1
InChIInChI=1S/C12H15N/c1-2-9-5-3-4-6-11(9)12(13)10-7-8-10/h2-6,10,12H,1,7-8,13H2/t12-/m0/s1
InChIKeyHVCGVSXLFQIFTK-LBPRGKRZSA-N
MW173.26 g/mol
LogP2.74
Rot. Bonds3

About (S)-cyclopropyl-(2-ethenylphenyl)methanamine

(S)-cyclopropyl-(2-ethenylphenyl)methanamine (PubChem CID 131218934) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (S)-cyclopropyl-(2-ethenylphenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclopropyl-(2-ethenylphenyl)methanamine
PubChem CID131218934
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(S)-cyclopropyl-(2-ethenylphenyl)methanamine
SMILESC=Cc1ccccc1[C@@H](N)C1CC1
InChIInChI=1S/C12H15N/c1-2-9-5-3-4-6-11(9)12(13)10-7-8-10/h2-6,10,12H,1,7-8,13H2/t12-/m0/s1
InChIKeyHVCGVSXLFQIFTK-LBPRGKRZSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
(1S)-1-amino-1-(2-ethenylphenyl)propan-2-ol
CID 130989539
(R)-cyclopropyl-(2-methoxyphenyl)methanamine
CID 45072420
1-(2-ethenylphenyl)propan-1-amine
CID 55283392
2-amino-2-(2-ethenylphenyl)ethanol
CID 55283581
(2-cyclobutylphenyl)-cyclopropylmethanamine
CID 114602603
3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
CID 55282374
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
(R)-cyclopropyl-(2-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171211944
(2-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methanamine
CID 65423601

Frequently Asked Questions

What is the IUPAC name of (S)-cyclopropyl-(2-ethenylphenyl)methanamine?
The IUPAC name of (S)-cyclopropyl-(2-ethenylphenyl)methanamine (CID 131218934) is (S)-cyclopropyl-(2-ethenylphenyl)methanamine.
What is the SMILES notation for (S)-cyclopropyl-(2-ethenylphenyl)methanamine?
The canonical SMILES for (S)-cyclopropyl-(2-ethenylphenyl)methanamine is C=Cc1ccccc1[C@@H](N)C1CC1.
What is the InChIKey of (S)-cyclopropyl-(2-ethenylphenyl)methanamine?
The InChIKey is HVCGVSXLFQIFTK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15N/c1-2-9-5-3-4-6-11(9)12(13)10-7-8-10/h2-6,10,12H,1,7-8,13H2/t12-/m0/s1.
What are the key properties of (S)-cyclopropyl-(2-ethenylphenyl)methanamine?
(S)-cyclopropyl-(2-ethenylphenyl)methanamine has a molecular weight of 173.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclopropyl-(2-ethenylphenyl)methanamine is sourced from PubChem (CID 131218934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).