N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine

C19H25NS — CID 139613449

IUPACN-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCNCCC(Sc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C19H25NS/c1-15(2)17-11-7-8-12-19(17)21-18(13-14-20-3)16-9-5-4-6-10-16/h4-12,15,18,20H,13-14H2,1-3H3
InChIKeyNAIYMOAEYBFDDZ-UHFFFAOYSA-N
MW299.48 g/mol
LogP5.25
Rot. Bonds7

About N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine

N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine (PubChem CID 139613449) has the molecular formula C19H25NS and a molecular weight of 299.48 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine
PubChem CID139613449
Molecular FormulaC19H25NS
Molecular Weight299.48 g/mol
Exact Mass299.17
IUPAC NameN-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine
SMILESCNCCC(Sc1ccccc1C(C)C)c1ccccc1
InChIInChI=1S/C19H25NS/c1-15(2)17-11-7-8-12-19(17)21-18(13-14-20-3)16-9-5-4-6-10-16/h4-12,15,18,20H,13-14H2,1-3H3
InChIKeyNAIYMOAEYBFDDZ-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.48
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;hydrochloride
CID 159931174
3-(1-benzothiophen-4-ylsulfanyl)-N-methyl-3-phenylpropan-1-amine
CID 23568936
3-(2-ethylphenyl)sulfanyl-N-methyl-3-phenylpropan-1-amine;propanedioic acid
CID 157183023
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
N'-methyl-1-(2-propan-2-ylphenyl)propane-1,3-diamine
CID 70570359
3-(2-bromophenyl)-N-methylbutan-1-amine
CID 83693034
1-benzylsulfanyl-2-propan-2-ylbenzene
CID 54415712
ethane;N-methyl-3-phenylpentan-1-amine
CID 165125181
(2S)-2-(cyclodecapentaenyl)-N-methylpropan-1-amine
CID 166722722
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
ethane;N-methyl-4,4-diphenylbutan-1-amine
CID 142989405
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine?
The IUPAC name of N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine (CID 139613449) is N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine?
The canonical SMILES for N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine is CNCCC(Sc1ccccc1C(C)C)c1ccccc1.
What is the InChIKey of N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine?
The InChIKey is NAIYMOAEYBFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NS/c1-15(2)17-11-7-8-12-19(17)21-18(13-14-20-3)16-9-5-4-6-10-16/h4-12,15,18,20H,13-14H2,1-3H3.
What are the key properties of N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine?
N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine has a molecular weight of 299.48 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-(2-propan-2-ylphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 139613449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).