3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine

C16H17F2N — CID 114933703

IUPAC3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N/c1-11-4-2-5-12(8-11)13(10-19)9-14-15(17)6-3-7-16(14)18/h2-8,13H,9-10,19H2,1H3
InChIKeyLBVLLHVIWIWVKM-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.56
Rot. Bonds4

About 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine

3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine (PubChem CID 114933703) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
PubChem CID114933703
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine
SMILESCc1cccc(C(CN)Cc2c(F)cccc2F)c1
InChIInChI=1S/C16H17F2N/c1-11-4-2-5-12(8-11)13(10-19)9-14-15(17)6-3-7-16(14)18/h2-8,13H,9-10,19H2,1H3
InChIKeyLBVLLHVIWIWVKM-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-6-fluorophenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977027
(2S)-3-amino-2-(3-methylphenyl)propan-1-ol
CID 86327369
3-amino-2-(3-methylphenyl)propan-1-ol
CID 46911824
3-(2-bromo-5-fluorophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79416738
3-(4-iodophenyl)-2-(3-methylphenyl)propan-1-amine
CID 79417014
2-(3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 79422480
2-(3-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 79422492
3-(3-methylphenyl)pentan-1-amine
CID 82074944
2-(3-methylphenyl)-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 79416650
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-(3-methylphenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82870488
3-(2-chloro-6-fluorophenyl)-2-(3,4-dimethoxyphenyl)propan-1-amine
CID 82139829

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The IUPAC name of 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine (CID 114933703) is 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine is Cc1cccc(C(CN)Cc2c(F)cccc2F)c1.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine?
The InChIKey is LBVLLHVIWIWVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-11-4-2-5-12(8-11)13(10-19)9-14-15(17)6-3-7-16(14)18/h2-8,13H,9-10,19H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine?
3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine has a molecular weight of 261.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-(3-methylphenyl)propan-1-amine is sourced from PubChem (CID 114933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).