1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine

C17H19F2N — CID 105403015

IUPAC1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C17H19F2N/c1-11-4-5-14(6-12(11)2)17(3,20)10-13-7-15(18)9-16(19)8-13/h4-9H,10,20H2,1-3H3
InChIKeyGRZIIDNNIFIMMB-UHFFFAOYSA-N
MW275.34 g/mol
LogP4.00
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine

1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine (PubChem CID 105403015) has the molecular formula C17H19F2N and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
PubChem CID105403015
Molecular FormulaC17H19F2N
Molecular Weight275.34 g/mol
Exact Mass275.15
IUPAC Name1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
SMILESCc1ccc(C(C)(N)Cc2cc(F)cc(F)c2)cc1C
InChIInChI=1S/C17H19F2N/c1-11-4-5-14(6-12(11)2)17(3,20)10-13-7-15(18)9-16(19)8-13/h4-9H,10,20H2,1-3H3
InChIKeyGRZIIDNNIFIMMB-UHFFFAOYSA-N
XLogP4.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-2-(3,4-dimethylphenyl)propan-2-amine
CID 63411763
1-(3-bromo-5-fluorophenyl)-2-(4-bromophenyl)propan-2-amine
CID 79701638
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(3,4-dimethylphenyl)-2-(4-ethylphenyl)propan-2-amine
CID 63408206
1-(3-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-2-amine
CID 79702900
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-amine
CID 105402991
1-(3-bromo-5-fluorophenyl)-2-(4-methoxyphenyl)propan-2-amine
CID 79702014
2-(4-fluorophenyl)-1-(4-methylphenyl)propan-2-amine
CID 60799223
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine (CID 105403015) is 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine is Cc1ccc(C(C)(N)Cc2cc(F)cc(F)c2)cc1C.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
The InChIKey is GRZIIDNNIFIMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N/c1-11-4-5-14(6-12(11)2)17(3,20)10-13-7-15(18)9-16(19)8-13/h4-9H,10,20H2,1-3H3.
What are the key properties of 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine?
1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine has a molecular weight of 275.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-amine is sourced from PubChem (CID 105403015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).