N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine

C15H21F2NS — CID 79957855

IUPACN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
SMILESCC(Cc1c(F)cccc1F)NC1CCCSC1C
InChIInChI=1S/C15H21F2NS/c1-10(18-15-7-4-8-19-11(15)2)9-12-13(16)5-3-6-14(12)17/h3,5-6,10-11,15,18H,4,7-9H2,1-2H3
InChIKeyRRAVWEBJPNVVNP-UHFFFAOYSA-N
MW285.40 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine

N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine (PubChem CID 79957855) has the molecular formula C15H21F2NS and a molecular weight of 285.40 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
PubChem CID79957855
Molecular FormulaC15H21F2NS
Molecular Weight285.40 g/mol
Exact Mass285.14
IUPAC NameN-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine
SMILESCC(Cc1c(F)cccc1F)NC1CCCSC1C
InChIInChI=1S/C15H21F2NS/c1-10(18-15-7-4-8-19-11(15)2)9-12-13(16)5-3-6-14(12)17/h3,5-6,10-11,15,18H,4,7-9H2,1-2H3
InChIKeyRRAVWEBJPNVVNP-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63449895
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
N-(2,3-difluorophenyl)-2-methylthian-3-amine
CID 79957761
[2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
2-methyl-N-[(1R)-1-phenylethyl]thian-3-amine
CID 81351780
1-(2,6-difluorophenyl)-N-propan-2-ylpropan-2-amine
CID 60942715
2-methyl-N-[(1S)-1-thiophen-2-ylethyl]thian-3-amine
CID 81398612
N-[1-(2,6-difluorophenyl)propan-2-yl]-1,1-dioxothian-4-amine
CID 60942214
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841090
2-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanol
CID 114931629
N-[1-(2,6-difluorophenyl)propan-2-yl]-4,4-dimethylthian-3-amine
CID 79948608
2-methyl-N-[(1R)-1-(3-methylphenyl)ethyl]thian-3-amine
CID 81364140

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine (CID 79957855) is N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine is CC(Cc1c(F)cccc1F)NC1CCCSC1C.
What is the InChIKey of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine?
The InChIKey is RRAVWEBJPNVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NS/c1-10(18-15-7-4-8-19-11(15)2)9-12-13(16)5-3-6-14(12)17/h3,5-6,10-11,15,18H,4,7-9H2,1-2H3.
What are the key properties of N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine?
N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine has a molecular weight of 285.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)propan-2-yl]-2-methylthian-3-amine is sourced from PubChem (CID 79957855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).