1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine

C10H10ClF2N — CID 117310192

IUPAC1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)c(Cl)c(F)c2)CC1
InChIInChI=1S/C10H10ClF2N/c11-9-7(12)3-6(4-8(9)13)5-10(14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyUQVJSVAWGKVDTA-UHFFFAOYSA-N
MW217.65 g/mol
LogP2.65
Rot. Bonds2

About 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine

1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117310192) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117310192
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2cc(F)c(Cl)c(F)c2)CC1
InChIInChI=1S/C10H10ClF2N/c11-9-7(12)3-6(4-8(9)13)5-10(14)1-2-10/h3-4H,1-2,5,14H2
InChIKeyUQVJSVAWGKVDTA-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(4-chloro-3,5-difluorophenyl)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-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446809
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
4-[(1-aminocyclopropyl)methyl]-2-fluoro-6-methoxyphenol
CID 117301384
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(4-cyclopropyl-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117293738
1-[(3-bromo-4-chloro-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448563
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
1-[(7-fluoro-3-methyl-1H-indol-5-yl)methyl]cyclopropan-1-amine
CID 117311124
1-[[3-chloro-4,5-bis(methylsulfanyl)phenyl]methyl]cyclopropan-1-amine
CID 117437299
1-[[2,3-difluoro-5-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
CID 117306416

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine (CID 117310192) is 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2cc(F)c(Cl)c(F)c2)CC1.
What is the InChIKey of 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is UQVJSVAWGKVDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-9-7(12)3-6(4-8(9)13)5-10(14)1-2-10/h3-4H,1-2,5,14H2.
What are the key properties of 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine?
1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 217.65 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3,5-difluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117310192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).