1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine

C11H13BrFN — CID 117398395

IUPAC1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CF)c(Br)c2)CC1
InChIInChI=1S/C11H13BrFN/c12-10-5-8(1-2-9(10)7-13)6-11(14)3-4-11/h1-2,5H,3-4,6-7,14H2
InChIKeyMDWIXZXYCRUEQN-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.95
Rot. Bonds3

About 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine

1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine (PubChem CID 117398395) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
PubChem CID117398395
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc(CF)c(Br)c2)CC1
InChIInChI=1S/C11H13BrFN/c12-10-5-8(1-2-9(10)7-13)6-11(14)3-4-11/h1-2,5H,3-4,6-7,14H2
InChIKeyMDWIXZXYCRUEQN-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[[3-bromo-4-(fluoromethyl)phenyl]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-methylphenyl)methyl]cyclopropan-1-amine
CID 117352424
1-[(4-bromo-3-methylphenyl)methyl]cyclopropan-1-amine
CID 117352428
O-[[3-bromo-4-(fluoromethyl)phenyl]methyl]hydroxylamine
CID 117339731
3-[3-bromo-4-(fluoromethyl)phenyl]propanoic acid
CID 84710394
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-[(3-bromo-5-fluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117437506
1-[(4-bromophenyl)methyl]cyclopentan-1-amine
CID 60798345
1-[(3-bromo-2,4-difluorophenyl)methyl]cyclopropan-1-amine
CID 117409349
3-[(1-aminocyclopropyl)methyl]-6-bromobenzene-1,2-diol
CID 117398380
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
3-[3-bromo-4-(fluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117466889

Frequently Asked Questions

What is the IUPAC name of 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine (CID 117398395) is 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine is NC1(Cc2ccc(CF)c(Br)c2)CC1.
What is the InChIKey of 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
The InChIKey is MDWIXZXYCRUEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c12-10-5-8(1-2-9(10)7-13)6-11(14)3-4-11/h1-2,5H,3-4,6-7,14H2.
What are the key properties of 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine?
1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-bromo-4-(fluoromethyl)phenyl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 117398395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).