(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine

C11H13Cl2N — CID 130971374

IUPAC(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1
InChIKeyCPMRJELJHVRXTP-SNVBAGLBSA-N
MW230.14 g/mol
LogP3.79
Rot. Bonds3

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

(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine (PubChem CID 130971374) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
PubChem CID130971374
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
SMILESN[C@H](CC1CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H13Cl2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1
InChIKeyCPMRJELJHVRXTP-SNVBAGLBSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanamine
CID 65393105
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
CID 130658234
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(1R)-1-(2,3-dichlorophenyl)but-3-en-1-amine;hydrochloride
CID 171204537
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine (CID 130971374) is (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine is N[C@H](CC1CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine?
The InChIKey is CPMRJELJHVRXTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-9-3-1-2-8(11(9)13)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2/t10-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine?
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine has a molecular weight of 230.14 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine is sourced from PubChem (CID 130971374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).