N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline

C18H24N2S — CID 100988560

IUPACN-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline
SMILESCC(C)Nc1ccccc1Sc1ccccc1NC(C)C
InChIInChI=1S/C18H24N2S/c1-13(2)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-14(3)4/h5-14,19-20H,1-4H3
InChIKeyIWCNGSAAYUZDIA-UHFFFAOYSA-N
MW300.47 g/mol
LogP5.48
Rot. Bonds6

About N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline

N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline (PubChem CID 100988560) has the molecular formula C18H24N2S and a molecular weight of 300.47 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline
PubChem CID100988560
Molecular FormulaC18H24N2S
Molecular Weight300.47 g/mol
Exact Mass300.17
IUPAC NameN-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline
SMILESCC(C)Nc1ccccc1Sc1ccccc1NC(C)C
InChIInChI=1S/C18H24N2S/c1-13(2)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-14(3)4/h5-14,19-20H,1-4H3
InChIKeyIWCNGSAAYUZDIA-UHFFFAOYSA-N
XLogP5.48
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.47
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
CID 102868390
2-benzyl-N-propan-2-ylaniline
CID 13262632
2-ethynyl-N-propan-2-ylaniline
CID 118111818
2-(propan-2-ylamino)thiobenzaldehyde
CID 145152570
4-phenylsulfanyl-N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine
CID 102405444
2-[hydroxy(dimethyl)silyl]-N-propan-2-ylaniline
CID 90364928
N-propan-2-yl-7-[(1R,2R)-2-[[2-(propan-2-ylamino)cyclohepta-2,4,6-trien-1-ylidene]amino]cyclohexyl]iminocyclohepta-1,3,5-trien-1-amine
CID 101236708
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
2-(2-methylphenyl)sulfanyl-N-phenylaniline
CID 145291254
N-pentyl-2-[2-(pentylamino)phenyl]sulfanylaniline
CID 67638434
3-phosphanyl-1-N,2-N-di(propan-2-yl)benzene-1,2-diamine
CID 90329258

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline?
The IUPAC name of N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline (CID 100988560) is N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline.
What is the SMILES notation for N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline?
The canonical SMILES for N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline is CC(C)Nc1ccccc1Sc1ccccc1NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline?
The InChIKey is IWCNGSAAYUZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2S/c1-13(2)19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20-14(3)4/h5-14,19-20H,1-4H3.
What are the key properties of N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline?
N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline has a molecular weight of 300.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline is sourced from PubChem (CID 100988560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).