1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine

C16H17F2NO — CID 62602325

IUPAC1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-15-8-3-2-5-11(15)9-13(19)10-12-6-4-7-14(17)16(12)18/h2-8,13H,9-10,19H2,1H3
InChIKeyRBKALJDRTKMDSY-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.09
Rot. Bonds5

About 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine

1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (PubChem CID 62602325) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
PubChem CID62602325
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
SMILESCOc1ccccc1CC(N)Cc1cccc(F)c1F
InChIInChI=1S/C16H17F2NO/c1-20-15-8-3-2-5-11(15)9-13(19)10-12-6-4-7-14(17)16(12)18/h2-8,13H,9-10,19H2,1H3
InChIKeyRBKALJDRTKMDSY-UHFFFAOYSA-N
XLogP3.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(5-chloro-2-methoxyphenyl)-3-(2-fluorophenyl)propan-2-amine
CID 62605724
4-(2-methoxyphenyl)butane-1,3-diamine
CID 154072972
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-(2,3-difluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115845161
1-(2-bromophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 61261607
1-(2-bromo-5-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115843743
1-(3-chloro-4-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 103039879
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
1-(2,4-difluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 79724225
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
(1S)-1,2-bis(2-methoxyphenyl)ethanamine
CID 36689288

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine (CID 62602325) is 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is COc1ccccc1CC(N)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
The InChIKey is RBKALJDRTKMDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-20-15-8-3-2-5-11(15)9-13(19)10-12-6-4-7-14(17)16(12)18/h2-8,13H,9-10,19H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine?
1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine has a molecular weight of 277.31 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-(2-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 62602325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).