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

C12H17N — CID 28912263

IUPAC(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
SMILESCc1ccccc1[C@H]1C[C@@H]1[C@@H](C)N
InChIInChI=1S/C12H17N/c1-8-5-3-4-6-10(8)12-7-11(12)9(2)13/h3-6,9,11-12H,7,13H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyPENZOSOLHRPJDU-YUSALJHKSA-N
MW175.28 g/mol
LogP2.45
Rot. Bonds2

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

(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine (PubChem CID 28912263) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
PubChem CID28912263
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
SMILESCc1ccccc1[C@H]1C[C@@H]1[C@@H](C)N
InChIInChI=1S/C12H17N/c1-8-5-3-4-6-10(8)12-7-11(12)9(2)13/h3-6,9,11-12H,7,13H2,1-2H3/t9-,11-,12-/m1/s1
InChIKeyPENZOSOLHRPJDU-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 ≤ 500175.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
CID 29079561
1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
1-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150354
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
2-(2-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81013335
(1R)-1-[(1S,2S)-2-(3-methylphenyl)cyclopropyl]ethanamine
CID 28912202
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
CID 130631226
(1S)-1-[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]ethanamine
CID 93284927
(1S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 124747142
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine (CID 28912263) is (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine is Cc1ccccc1[C@H]1C[C@@H]1[C@@H](C)N.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is PENZOSOLHRPJDU-YUSALJHKSA-N. The full InChI is InChI=1S/C12H17N/c1-8-5-3-4-6-10(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-(2-methylphenyl)cyclopropyl]ethanamine?
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 175.28 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-(2-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 28912263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).