2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine

C16H16ClF2N — CID 115984177

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClF2N/c17-16-13(5-3-7-15(16)19)9-11(10-20)8-12-4-1-2-6-14(12)18/h1-7,11H,8-10,20H2
InChIKeyCPYKTPVSLFIVJL-UHFFFAOYSA-N
MW295.76 g/mol
LogP3.98
Rot. Bonds5

About 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine

2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (PubChem CID 115984177) has the molecular formula C16H16ClF2N and a molecular weight of 295.76 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
PubChem CID115984177
Molecular FormulaC16H16ClF2N
Molecular Weight295.76 g/mol
Exact Mass295.09
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H16ClF2N/c17-16-13(5-3-7-15(16)19)9-11(10-20)8-12-4-1-2-6-14(12)18/h1-7,11H,8-10,20H2
InChIKeyCPYKTPVSLFIVJL-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.76
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
CID 115984179
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
1-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-2-chloro-3-fluorobenzene
CID 115984618
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
2-[(2,3-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 107309626
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (CID 115984177) is 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is NCC(Cc1ccccc1F)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is CPYKTPVSLFIVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N/c17-16-13(5-3-7-15(16)19)9-11(10-20)8-12-4-1-2-6-14(12)18/h1-7,11H,8-10,20H2.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 295.76 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 115984177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).