N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine

C10H12Cl2FN — CID 115733095

IUPACN-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
SMILESFCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FN/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7H2
InChIKeyDZXLGBUYLDHOQA-UHFFFAOYSA-N
MW236.12 g/mol
LogP3.44
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine

N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine (PubChem CID 115733095) has the molecular formula C10H12Cl2FN and a molecular weight of 236.12 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
PubChem CID115733095
Molecular FormulaC10H12Cl2FN
Molecular Weight236.12 g/mol
Exact Mass235.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
SMILESFCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H12Cl2FN/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7H2
InChIKeyDZXLGBUYLDHOQA-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-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

N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(2-bromo-4-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115742344
N-[(2-bromo-5-chlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115732926
N-[(2,4-dichlorophenyl)methyl]pentan-1-amine
CID 4716694
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
N-[(2,4-dichlorophenyl)methyl]octadecan-1-amine
CID 20562206
N-[(2,4-dichlorophenyl)methyl]decan-1-amine
CID 20562210
3-chloro-4-[(3-fluoropropylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 114267018
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(2-chlorophenyl)methyl]-1-(2,4-dichlorophenyl)methanamine
CID 4715652
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733054

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine (CID 115733095) is N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine is FCCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine?
The InChIKey is DZXLGBUYLDHOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN/c11-9-3-2-8(10(12)6-9)7-14-5-1-4-13/h2-3,6,14H,1,4-5,7H2.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine?
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine has a molecular weight of 236.12 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine is sourced from PubChem (CID 115733095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).