N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine

C16H15ClF3N — CID 81454841

IUPACN-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1cccc(F)c1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-8-21-16(11-7-6-10(18)9-14(11)20)12-4-3-5-13(19)15(12)17/h3-7,9,16,21H,2,8H2,1H3
InChIKeyIXILHBUYSWICKN-UHFFFAOYSA-N
MW313.75 g/mol
LogP4.85
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine

N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine (PubChem CID 81454841) has the molecular formula C16H15ClF3N and a molecular weight of 313.75 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
PubChem CID81454841
Molecular FormulaC16H15ClF3N
Molecular Weight313.75 g/mol
Exact Mass313.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cc1F)c1cccc(F)c1Cl
InChIInChI=1S/C16H15ClF3N/c1-2-8-21-16(11-7-6-10(18)9-14(11)20)12-4-3-5-13(19)15(12)17/h3-7,9,16,21H,2,8H2,1H3
InChIKeyIXILHBUYSWICKN-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293
N-[(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 115791844
N-[(2-chloro-3-fluorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 81453210
N-[(2-chloro-3-fluorophenyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 115851234
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
N-[(2-chloro-4-fluorophenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 63419716
N-[(2-chloro-3-fluorophenyl)-(2-methylthiophen-3-yl)methyl]propan-1-amine
CID 102841296
N-[(2-chloro-3-fluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 81454359
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
N-[(5-bromo-2-chlorophenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115828061
N-[(2-chloro-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]propan-1-amine
CID 102764118
N-[(2,4-difluorophenyl)-(furan-2-yl)methyl]propan-1-amine
CID 43496243

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine (CID 81454841) is N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine is CCCNC(c1ccc(F)cc1F)c1cccc(F)c1Cl.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine?
The InChIKey is IXILHBUYSWICKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF3N/c1-2-8-21-16(11-7-6-10(18)9-14(11)20)12-4-3-5-13(19)15(12)17/h3-7,9,16,21H,2,8H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine?
N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine has a molecular weight of 313.75 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)-(2,4-difluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 81454841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).