1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine

C11H12F3NO — CID 117333685

IUPAC1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO/c1-16-10-6(5-11(15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3
InChIKeyXZHKUSFIJJZXMG-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.15
Rot. Bonds3

About 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine

1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 117333685) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID117333685
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1c(CC2(N)CC2)cc(F)c(F)c1F
InChIInChI=1S/C11H12F3NO/c1-16-10-6(5-11(15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3
InChIKeyXZHKUSFIJJZXMG-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-[(3,4,5-trifluoro-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

1-[(5-bromo-3-fluoro-2,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117489110
1-[[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]methyl]cyclopropan-1-amine
CID 117364434
1-[(3-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
1-[(5-bromo-2,4-dimethoxy-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117483351
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
1-[(5-chloro-2-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117331427
2-[(1-aminocyclopropyl)methyl]-3,4-difluoro-6-methoxyphenol
CID 117329978
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine (CID 117333685) is 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine is COc1c(CC2(N)CC2)cc(F)c(F)c1F.
What is the InChIKey of 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is XZHKUSFIJJZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-6(5-11(15)2-3-11)4-7(12)8(13)9(10)14/h4H,2-3,5,15H2,1H3.
What are the key properties of 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine?
1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4,5-trifluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117333685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).