1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine

C10H10BrF2N — CID 117409349

IUPAC1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(F)c(Br)c2F)CC1
InChIInChI=1S/C10H10BrF2N/c11-8-7(12)2-1-6(9(8)13)5-10(14)3-4-10/h1-2H,3-5,14H2
InChIKeyGTWHHBJOQUPOCW-UHFFFAOYSA-N
MW262.10 g/mol
LogP2.76
Rot. Bonds2

About 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine

1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 117409349) has the molecular formula C10H10BrF2N and a molecular weight of 262.10 g/mol. Its IUPAC name is 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
PubChem CID117409349
Molecular FormulaC10H10BrF2N
Molecular Weight262.10 g/mol
Exact Mass261.00
IUPAC Name1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(F)c(Br)c2F)CC1
InChIInChI=1S/C10H10BrF2N/c11-8-7(12)2-1-6(9(8)13)5-10(14)3-4-10/h1-2H,3-5,14H2
InChIKeyGTWHHBJOQUPOCW-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(3-bromo-2,4-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-bromo-4-fluoro-2-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437511
3-bromo-1-ethyl-2,4-difluorobenzene
CID 126670968
4-[(1-aminocyclopropyl)methyl]-2-fluorobenzene-1,3-diol
CID 117286707
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
1-[(5-bromo-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117398401
1-[(4-chloro-2-fluorophenyl)methyl]cycloheptan-1-amine
CID 114853412
1-[(5-bromo-2-chloro-3-fluorophenyl)methyl]cyclopropan-1-amine
CID 117446809
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
1-[(2-bromo-3-chlorophenyl)methyl]cyclopropan-1-amine
CID 117405881
1-[(3-chloro-2,4,5-trifluorophenyl)methyl]cyclopropan-1-amine
CID 117116150
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine (CID 117409349) is 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine is NC1(Cc2ccc(F)c(Br)c2F)CC1.
What is the InChIKey of 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is GTWHHBJOQUPOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2N/c11-8-7(12)2-1-6(9(8)13)5-10(14)3-4-10/h1-2H,3-5,14H2.
What are the key properties of 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine?
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 262.10 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117409349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).