1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine

C19H19NS — CID 63819331

IUPAC1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-14(20)12-15-6-9-18(10-7-15)21-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13-14H,12,20H2,1H3
InChIKeyYGXXPWGRCOSQDX-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.88
Rot. Bonds4

About 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine

1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 63819331) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
PubChem CID63819331
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(N)Cc1ccc(Sc2ccc3ccccc3c2)cc1
InChIInChI=1S/C19H19NS/c1-14(20)12-15-6-9-18(10-7-15)21-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13-14H,12,20H2,1H3
InChIKeyYGXXPWGRCOSQDX-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 63819118
2-methyl-3-(4-phenylsulfanylphenyl)propan-1-amine
CID 20573338
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(2R)-4-naphthalen-2-ylbutan-2-amine
CID 131577314
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
potassium;1-phenylpropan-2-amine;iodide
CID 70390373
1-(2-naphthalen-2-ylsulfanyl-4-phenylsulfanylphenyl)ethanol
CID 151731354
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-2-amine
CID 55240847
(1S)-1-(3-bromo-4-naphthalen-2-ylsulfanylphenyl)ethanamine
CID 63533938
1-[4-(1H-imidazol-2-ylsulfanyl)phenyl]propan-2-amine
CID 107783602

Frequently Asked Questions

What is the IUPAC name of 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine (CID 63819331) is 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine is CC(N)Cc1ccc(Sc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is YGXXPWGRCOSQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c1-14(20)12-15-6-9-18(10-7-15)21-19-11-8-16-4-2-3-5-17(16)13-19/h2-11,13-14H,12,20H2,1H3.
What are the key properties of 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine?
1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine has a molecular weight of 293.44 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-naphthalen-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 63819331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).