(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine

C11H13ClFN — CID 130512104

IUPAC(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-6-5-7(6)11(14)10-8(12)3-2-4-9(10)13/h2-4,6-7,11H,5,14H2,1H3
InChIKeyJRKJRHBEMPIVBJ-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.13
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine

(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine (PubChem CID 130512104) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
PubChem CID130512104
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-6-5-7(6)11(14)10-8(12)3-2-4-9(10)13/h2-4,6-7,11H,5,14H2,1H3
InChIKeyJRKJRHBEMPIVBJ-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]hydrazine
CID 105234813
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(S)-(4-chlorophenyl)-[(1R,2S)-2-methylcyclopropyl]methanamine
CID 93262194
(R)-(4-chlorophenyl)-[(1S,2R)-2-methylcyclopropyl]methanamine
CID 99724266
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
1-(2-chloro-6-fluorophenyl)-2-phenylpropan-1-amine
CID 114275421
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 131299540
1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82299762
3-amino-2-(2,6-dichlorophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65184515

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine (CID 130512104) is (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine?
The InChIKey is JRKJRHBEMPIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-6-5-7(6)11(14)10-8(12)3-2-4-9(10)13/h2-4,6-7,11H,5,14H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine?
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine has a molecular weight of 213.68 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 130512104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).