2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

C14H15F2NS — CID 83973702

IUPAC2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1CC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NS/c1-9-4-5-18-14(9)7-11(8-17)10-2-3-12(15)13(16)6-10/h2-6,11H,7-8,17H2,1H3
InChIKeyFUOFMLKEVSRYGB-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.62
Rot. Bonds4

About 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine

2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 83973702) has the molecular formula C14H15F2NS and a molecular weight of 267.34 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID83973702
Molecular FormulaC14H15F2NS
Molecular Weight267.34 g/mol
Exact Mass267.09
IUPAC Name2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1CC(CN)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2NS/c1-9-4-5-18-14(9)7-11(8-17)10-2-3-12(15)13(16)6-10/h2-6,11H,7-8,17H2,1H3
InChIKeyFUOFMLKEVSRYGB-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)-3-(2-methylphenyl)propan-1-amine
CID 83973724
2-(3-chloro-4-ethoxyphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83973518
3-(3-methylthiophen-2-yl)-2-(3-phenoxyphenyl)propan-1-amine
CID 83973441
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
3-(3-methylthiophen-2-yl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973382
3-(4-tert-butylphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973688
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-(4-ethoxy-2-methylphenyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 83974291
(3,4-difluorophenyl)-(2-methylthiophen-3-yl)methanamine
CID 102831759
3-(3-bromothiophen-2-yl)-2-(3-methylphenyl)propan-1-amine
CID 79416744
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine (CID 83973702) is 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1CC(CN)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is FUOFMLKEVSRYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NS/c1-9-4-5-18-14(9)7-11(8-17)10-2-3-12(15)13(16)6-10/h2-6,11H,7-8,17H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine?
2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 267.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-3-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 83973702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).