2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine

C11H13Cl2N — CID 112693518

IUPAC2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(CC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2
InChIKeyJFPYMIUWQQDEPR-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.79
Rot. Bonds3

About 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine

2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine (PubChem CID 112693518) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
PubChem CID112693518
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
SMILESNC(CC1CC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2N/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2
InChIKeyJFPYMIUWQQDEPR-UHFFFAOYSA-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

(1R)-1-(2-chloro-6-iodophenyl)-2-cyclopropylethanamine
CID 130658234
(1S)-1-(2-chloro-6-methylphenyl)-2-cyclopropylethanamine
CID 131212960
(1R)-2-cyclopropyl-1-(2,3-dichlorophenyl)ethanamine
CID 130971374
(1S)-2-cyclopropyl-1-(3,5-dichloro-4-pyridinyl)ethanamine
CID 130917410
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-[(1R)-1-amino-2-cyclopropylethyl]-6-bromo-3-chlorophenol
CID 131332411
(1R)-1-(6-chloro-2-fluoro-3-methylphenyl)-2-cyclopropylethanamine
CID 131293734
2-[(1R)-1-amino-2-cyclopropylethyl]-6-chlorophenol;hydrochloride
CID 171204746
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
2-[(1S)-1-amino-2-cyclopropylethyl]-6-chloro-3-fluorophenol
CID 131417981
(1R)-2-cyclopropyl-1-(2,6-dimethoxyphenyl)ethanamine;hydrochloride
CID 171201176
(1R)-1-(2-chloro-3,6-difluorophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171209353

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine (CID 112693518) is 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine is NC(CC1CC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine?
The InChIKey is JFPYMIUWQQDEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-8-2-1-3-9(13)11(8)10(14)6-7-4-5-7/h1-3,7,10H,4-6,14H2.
What are the key properties of 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine?
2-cyclopropyl-1-(2,6-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 2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 112693518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).