2-(3,4-difluorophenyl)sulfanylpentan-3-amine

C11H15F2NS — CID 64614302

IUPAC2-(3,4-difluorophenyl)sulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NS/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,11H,3,14H2,1-2H3
InChIKeyCFIACZINNNHOOT-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,4-difluorophenyl)sulfanylpentan-3-amine

2-(3,4-difluorophenyl)sulfanylpentan-3-amine (PubChem CID 64614302) has the molecular formula C11H15F2NS and a molecular weight of 231.31 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanylpentan-3-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanylpentan-3-amine
PubChem CID64614302
Molecular FormulaC11H15F2NS
Molecular Weight231.31 g/mol
Exact Mass231.09
IUPAC Name2-(3,4-difluorophenyl)sulfanylpentan-3-amine
SMILESCCC(N)C(C)Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H15F2NS/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,11H,3,14H2,1-2H3
InChIKeyCFIACZINNNHOOT-UHFFFAOYSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenyl)sulfanyl-1-phenylbutan-1-amine
CID 64615581
2-(3,4-difluorophenyl)sulfanyl-N-ethyl-1-phenylpropan-1-amine
CID 64612846
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxybutanimidamide
CID 76915909
2-(3,4-difluorophenyl)sulfanyl-2-(4-methylphenyl)ethanamine
CID 55016654
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763
5-(3,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615787
2-(3,4-difluorophenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64612638
4-(3,4-difluorophenyl)sulfanylpentanehydrazide
CID 63582881
4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056
N-[2-(3,4-difluorophenyl)sulfanylpropyl]cyclopropanamine
CID 62576350
1-[2-(3,4-difluorophenyl)sulfanylphenyl]propan-2-amine
CID 63818458
1-(3,4-difluorophenyl)sulfanyl-N-ethylpropan-2-amine
CID 64613894

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanylpentan-3-amine?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanylpentan-3-amine (CID 64614302) is 2-(3,4-difluorophenyl)sulfanylpentan-3-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanylpentan-3-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanylpentan-3-amine is CCC(N)C(C)Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanylpentan-3-amine?
The InChIKey is CFIACZINNNHOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NS/c1-3-11(14)7(2)15-8-4-5-9(12)10(13)6-8/h4-7,11H,3,14H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)sulfanylpentan-3-amine?
2-(3,4-difluorophenyl)sulfanylpentan-3-amine has a molecular weight of 231.31 g/mol, XLogP of 3.18, 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)sulfanylpentan-3-amine is sourced from PubChem (CID 64614302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).