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

C16H16Cl2FN — CID 107309627

IUPAC2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c17-14-6-3-5-13(16(14)18)9-11(10-20)8-12-4-1-2-7-15(12)19/h1-7,11H,8-10,20H2
InChIKeyPPYWSXGQPBLEFZ-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.49
Rot. Bonds5

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

2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (PubChem CID 107309627) has the molecular formula C16H16Cl2FN and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
PubChem CID107309627
Molecular FormulaC16H16Cl2FN
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccccc1F)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2FN/c17-14-6-3-5-13(16(14)18)9-11(10-20)8-12-4-1-2-7-15(12)19/h1-7,11H,8-10,20H2
InChIKeyPPYWSXGQPBLEFZ-UHFFFAOYSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 115984177
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
2-benzyl-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309611
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
2-[(2-bromophenyl)methyl]-3-(2-chloro-3-fluorophenyl)propan-1-amine
CID 115984179
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(3-chloro-2-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 102858638
2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine (CID 107309627) is 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is NCC(Cc1ccccc1F)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
The InChIKey is PPYWSXGQPBLEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FN/c17-14-6-3-5-13(16(14)18)9-11(10-20)8-12-4-1-2-7-15(12)19/h1-7,11H,8-10,20H2.
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine?
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine has a molecular weight of 312.21 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 107309627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).