(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine

C12H17N — CID 28912202

IUPAC(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cccc([C@H]2C[C@@H]2[C@@H](C)N)c1
InChIInChI=1S/C12H17N/c1-8-4-3-5-10(6-8)12-7-11(12)9(2)13/h3-6,9,11-12H,7,13H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyCVLBTLKIZRFOFZ-YUSALJHKSA-N
MW175.27 g/mol
LogP2.45
Rot. Bonds2

About (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine

(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine (PubChem CID 28912202) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
PubChem CID28912202
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cccc([C@H]2C[C@@H]2[C@@H](C)N)c1
InChIInChI=1S/C12H17N/c1-8-4-3-5-10(6-8)12-7-11(12)9(2)13/h3-6,9,11-12H,7,13H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyCVLBTLKIZRFOFZ-YUSALJHKSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 124745003
(1S)-1-[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]ethanamine
CID 29079515
(1R)-1-[(1R,2R)-2-(3-methoxyphenyl)cyclopropyl]ethanamine
CID 28912399
2-[2-(3-methylphenyl)cyclopropyl]propanamide
CID 67553478
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
trans-(1R,2S)-2-(3-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 170914369
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
(1R)-1-[(1S,2S)-2-(3,4-dimethoxyphenyl)cyclopropyl]ethanamine
CID 28912479
(1S)-1-[(1S,2S)-2-(4-fluorophenyl)cyclopropyl]ethanamine
CID 28912438
(1S)-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 124744909
[(3-methylphenyl)-(2-phenylcyclopropyl)methyl]hydrazine
CID 105200887
N-methyl-2-(3-methylphenyl)cyclopropan-1-amine
CID 83694830

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine (CID 28912202) is (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine is Cc1cccc([C@H]2C[C@@H]2[C@@H](C)N)c1.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is CVLBTLKIZRFOFZ-YUSALJHKSA-N. The full InChI is InChI=1S/C12H17N/c1-8-4-3-5-10(6-8)12-7-11(12)9(2)13/h3-6,9,11-12H,7,13H2,1-2H3/t9-,11-,12-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine?
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 175.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 28912202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).