(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine

C17H21NS — CID 103959494

IUPAC(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C17H21NS/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m1/s1
InChIKeyGLOSZLKMZHGWHR-MRXNPFEDSA-N
MW271.43 g/mol
LogP4.86
Rot. Bonds4

About (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine

(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine (PubChem CID 103959494) has the molecular formula C17H21NS and a molecular weight of 271.43 g/mol. Its IUPAC name is (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
PubChem CID103959494
Molecular FormulaC17H21NS
Molecular Weight271.43 g/mol
Exact Mass271.14
IUPAC Name(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccccc1Sc1ccc(C)c(C)c1
InChIInChI=1S/C17H21NS/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m1/s1
InChIKeyGLOSZLKMZHGWHR-MRXNPFEDSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 29040516
1-[2-(3,4-dimethylphenyl)sulfanylphenyl]-N-ethylethanamine
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(1S)-1-[2-(4-methylsulfonylphenyl)sulfanylphenyl]propan-1-amine
CID 103719165
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
1-(2-phenylsulfanylphenyl)pentan-1-amine
CID 58625272
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(2,4-difluorophenyl)sulfanylphenyl]propan-1-amine
CID 112678597
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-(2-butan-2-ylsulfanylphenyl)propan-1-amine
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(1S)-1-(2-benzylsulfanylphenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine?
The IUPAC name of (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine (CID 103959494) is (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine is CC[C@@H](N)c1ccccc1Sc1ccc(C)c(C)c1.
What is the InChIKey of (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine?
The InChIKey is GLOSZLKMZHGWHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NS/c1-4-16(18)15-7-5-6-8-17(15)19-14-10-9-12(2)13(3)11-14/h5-11,16H,4,18H2,1-3H3/t16-/m1/s1.
What are the key properties of (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine?
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine has a molecular weight of 271.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 103959494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).