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

C16H16F3N — CID 62530589

IUPAC2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2
InChIKeyDRPOGOQZOPOQES-UHFFFAOYSA-N
MW279.31 g/mol
LogP3.46
Rot. Bonds5

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

2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (PubChem CID 62530589) has the molecular formula C16H16F3N and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
PubChem CID62530589
Molecular FormulaC16H16F3N
Molecular Weight279.31 g/mol
Exact Mass279.12
IUPAC Name2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
SMILESNCC(Cc1cccc(F)c1)Cc1cccc(F)c1F
InChIInChI=1S/C16H16F3N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2
InChIKeyDRPOGOQZOPOQES-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-(2,3-difluorophenyl)propan-1-amine
CID 55083934
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
1-(2,3-difluorophenyl)-3-(3-fluorophenyl)propan-2-ol
CID 55095181
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-(aminomethyl)-3-(2,3-difluorophenyl)propan-1-ol
CID 63215682
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(5-chlorothiophen-2-yl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529799
1-[2-(bromomethyl)-3-(3-chlorophenyl)propyl]-2,3-difluorobenzene
CID 66042525
2-[(2-bromo-5-fluorophenyl)methyl]-3-(3-chlorophenyl)propan-1-amine
CID 63496159

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine (CID 62530589) is 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is NCC(Cc1cccc(F)c1)Cc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
The InChIKey is DRPOGOQZOPOQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N/c17-14-5-1-3-11(9-14)7-12(10-20)8-13-4-2-6-15(18)16(13)19/h1-6,9,12H,7-8,10,20H2.
What are the key properties of 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine?
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine has a molecular weight of 279.31 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62530589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).