1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine

C11H13F2N — CID 94558271

IUPAC1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-14-6-7-4-10(7)9-3-2-8(12)5-11(9)13/h2-3,5,7,10,14H,4,6H2,1H3/t7-,10+/m1/s1
InChIKeyLMMSSTZDXUMAQW-XCBNKYQSSA-N
MW197.23 g/mol
LogP2.29
Rot. Bonds3

About 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine

1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine (PubChem CID 94558271) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
PubChem CID94558271
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
SMILESCNC[C@H]1C[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-14-6-7-4-10(7)9-3-2-8(12)5-11(9)13/h2-3,5,7,10,14H,4,6H2,1H3/t7-,10+/m1/s1
InChIKeyLMMSSTZDXUMAQW-XCBNKYQSSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 62712077
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-1-amine
CID 62708173
1-[2-(2,4-difluorophenyl)cycloheptyl]-N-methylmethanamine
CID 81025058
1-[2-(5-fluoro-2-methylselanylphenyl)cyclopropyl]-N-methylmethanamine
CID 177366300
[(1R,2S)-2-(2,4-difluorophenyl)cyclopropyl]methanamine
CID 94556815
1-[2-(2,2-dimethylpropyl)cyclopropyl]-2,4-difluorobenzene
CID 146184894
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558335
1-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-N-methylmethanamine
CID 94558228
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
1-[2-[3-(4-fluorophenyl)phenyl]cyclopropyl]-N-methylmethanamine
CID 71207055

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine (CID 94558271) is 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine is CNC[C@H]1C[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is LMMSSTZDXUMAQW-XCBNKYQSSA-N. The full InChI is InChI=1S/C11H13F2N/c1-14-6-7-4-10(7)9-3-2-8(12)5-11(9)13/h2-3,5,7,10,14H,4,6H2,1H3/t7-,10+/m1/s1.
What are the key properties of 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine?
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 94558271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).