1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine

C12H14F3NO — CID 117364434

IUPAC1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cc(F)cc1C(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10-7(6-12(16)2-3-12)4-8(13)5-9(10)11(14)15/h4-5,11H,2-3,6,16H2,1H3
InChIKeyDLMFNSYNZOCGRZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.81
Rot. Bonds4

About 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine

1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine (PubChem CID 117364434) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
PubChem CID117364434
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cc(F)cc1C(F)F
InChIInChI=1S/C12H14F3NO/c1-17-10-7(6-12(16)2-3-12)4-8(13)5-9(10)11(14)15/h4-5,11H,2-3,6,16H2,1H3
InChIKeyDLMFNSYNZOCGRZ-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

O-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]hydroxylamine
CID 117315132
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117333685
1-[[3-(1-fluoroethyl)-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117320065
1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
1-[(2,3-dimethoxy-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117376984
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(4-ethyl-2,5-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117343094
1-[[2,3-dimethoxy-5-(methoxymethyl)phenyl]methyl]cyclopropan-1-amine
CID 117381745
4-[(5-fluoro-2-methoxyphenyl)methyl]oxan-4-amine
CID 83824702
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
1-[(2,3-dimethoxy-4-methylsulfanylphenyl)methyl]cyclopropan-1-amine
CID 117386726
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117486934

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine (CID 117364434) is 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)cc(F)cc1C(F)F.
What is the InChIKey of 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine?
The InChIKey is DLMFNSYNZOCGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-10-7(6-12(16)2-3-12)4-8(13)5-9(10)11(14)15/h4-5,11H,2-3,6,16H2,1H3.
What are the key properties of 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine?
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117364434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).