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

C10H11F2N — CID 84768955

IUPAC1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
SMILESCc1c(F)cc(C2(N)CC2)cc1F
InChIInChI=1S/C10H11F2N/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyCQVKVWJCPGEKIU-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.22
Rot. Bonds1

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

1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine (PubChem CID 84768955) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
PubChem CID84768955
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
SMILESCc1c(F)cc(C2(N)CC2)cc1F
InChIInChI=1S/C10H11F2N/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-10/h4-5H,2-3,13H2,1H3
InChIKeyCQVKVWJCPGEKIU-UHFFFAOYSA-N
XLogP2.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclopropan-1-amine
CID 96609980
1-(3,5-difluorophenyl)cyclopropan-1-amine;hydrochloride
CID 50944250
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784320
1-(3-fluoro-4-methylsulfonylphenyl)cyclopropan-1-amine
CID 84792733
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
1-(7-fluoro-2,3-dimethyl-1H-indol-5-yl)cyclohexan-1-amine
CID 117405404
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclopropan-1-amine
CID 84789141
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine (CID 84768955) is 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine is Cc1c(F)cc(C2(N)CC2)cc1F.
What is the InChIKey of 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine?
The InChIKey is CQVKVWJCPGEKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-8(11)4-7(5-9(6)12)10(13)2-3-10/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine?
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84768955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).