2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine

C17H18Cl2FN — CID 65318235

IUPAC2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-21-11-13(8-12-2-5-16(20)6-3-12)9-14-10-15(18)4-7-17(14)19/h2-7,10,13,21H,8-9,11H2,1H3
InChIKeyNGFHDQMJDFQWGR-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.75
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine

2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine (PubChem CID 65318235) has the molecular formula C17H18Cl2FN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
PubChem CID65318235
Molecular FormulaC17H18Cl2FN
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H18Cl2FN/c1-21-11-13(8-12-2-5-16(20)6-3-12)9-14-10-15(18)4-7-17(14)19/h2-7,10,13,21H,8-9,11H2,1H3
InChIKeyNGFHDQMJDFQWGR-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-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

2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-[(2,5-difluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515213
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249
2-[(5-bromo-2-fluorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 62515735
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
2-[2-(bromomethyl)-3-(4-fluorophenyl)propyl]-1-chloro-4-fluorobenzene
CID 102621383
3-(2,5-dichlorophenyl)-N,2-dimethylpropan-1-amine
CID 64664114
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
1-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 102618565
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 63521754

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine (CID 65318235) is 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(F)cc1)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
The InChIKey is NGFHDQMJDFQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2FN/c1-21-11-13(8-12-2-5-16(20)6-3-12)9-14-10-15(18)4-7-17(14)19/h2-7,10,13,21H,8-9,11H2,1H3.
What are the key properties of 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine?
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine has a molecular weight of 326.24 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 65318235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).