1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine

C11H13F2N — CID 117286906

IUPAC1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)cc(F)c1F
InChIInChI=1S/C11H13F2N/c1-7-4-8(5-9(12)10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyZLXHNHZTQHNYJQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.31
Rot. Bonds2

About 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine

1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117286906) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
PubChem CID117286906
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)cc(F)c1F
InChIInChI=1S/C11H13F2N/c1-7-4-8(5-9(12)10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3
InChIKeyZLXHNHZTQHNYJQ-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
CID 117310192
1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
CID 117311124
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117306416
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
1-[(3-chloro-2,6-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117335411
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine (CID 117286906) is 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine is Cc1cc(CC2(N)CC2)cc(F)c1F.
What is the InChIKey of 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is ZLXHNHZTQHNYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-4-8(5-9(12)10(7)13)6-11(14)2-3-11/h4-5H,2-3,6,14H2,1H3.
What are the key properties of 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine?
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117286906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).