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

C11H13Cl2N — CID 29079561

IUPAC(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
SMILESC[C@@H](N)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-3-2-4-10(12)11(7)13/h2-4,6,8-9H,5,14H2,1H3/t6-,8-,9-/m1/s1
InChIKeyXSVSHOPSLOIPAO-FTLITQJKSA-N
MW230.14 g/mol
LogP3.44
Rot. Bonds2

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

(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine (PubChem CID 29079561) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
PubChem CID29079561
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine
SMILESC[C@@H](N)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-3-2-4-10(12)11(7)13/h2-4,6,8-9H,5,14H2,1H3/t6-,8-,9-/m1/s1
InChIKeyXSVSHOPSLOIPAO-FTLITQJKSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 124746610
(1S)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanol
CID 95002863
(1R)-1-[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]ethanamine
CID 28912124
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
1-[2-(2-chlorothiophen-3-yl)cyclopropyl]ethanamine
CID 130631226
(1S)-1-[(1S,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]ethanamine
CID 124550908
1-[2-(3,4-dichlorophenyl)cyclopropyl]ethanamine
CID 43150348
1-[(1R,2S)-2-phenylcyclopropyl]ethanamine
CID 57373127
(1R)-1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]ethanamine
CID 29079485
1-[2-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 43150374
(1S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 29079347
(1S)-1-[(1S,2R)-2-(2,4-difluorophenyl)cyclopropyl]ethanamine
CID 124747142

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine (CID 29079561) is (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine is C[C@@H](N)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl.
What is the InChIKey of (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine?
The InChIKey is XSVSHOPSLOIPAO-FTLITQJKSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-6(14)8-5-9(8)7-3-2-4-10(12)11(7)13/h2-4,6,8-9H,5,14H2,1H3/t6-,8-,9-/m1/s1.
What are the key properties of (1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine?
(1R)-1-[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropyl]ethanamine has a molecular weight of 230.14 g/mol, XLogP of 3.44, 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-(2,3-dichlorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).