N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine

C14H23NS — CID 65129089

IUPACN-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-4-8-16-11-14(15-3)10-13-7-5-6-12(2)9-13/h5-7,9,14-15H,4,8,10-11H2,1-3H3
InChIKeyAQMKCSZAALMGKE-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.27
Rot. Bonds7

About N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine

N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine (PubChem CID 65129089) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
PubChem CID65129089
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine
SMILESCCCSCC(Cc1cccc(C)c1)NC
InChIInChI=1S/C14H23NS/c1-4-8-16-11-14(15-3)10-13-7-5-6-12(2)9-13/h5-7,9,14-15H,4,8,10-11H2,1-3H3
InChIKeyAQMKCSZAALMGKE-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[1-(3-methylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225680
4-[2-(methylamino)-3-propylsulfanylpropyl]pyridin-2-amine
CID 65129317
1-(2-bromophenyl)sulfanyl-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 66143687
1-(4-ethylphenyl)-N-methyl-4-(3-methylphenyl)butan-2-amine
CID 105101719
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
1-(3-chlorophenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128510
1-(3,5-dimethylphenyl)-N-ethyl-3-propylsulfanylpropan-2-amine
CID 65128565
1-(3,5-dimethylphenyl)-N-methyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66088736
1-N,1-N-diethyl-3-N-methyl-4-(3-methylphenyl)butane-1,3-diamine
CID 79087525
1-(3-bromophenyl)-N-propyl-3-propylsulfanylpropan-2-amine
CID 65128704
4-methoxy-N,4-dimethyl-1-(3-methylphenyl)pentan-2-amine
CID 103024872
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine (CID 65129089) is N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine is CCCSCC(Cc1cccc(C)c1)NC.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine?
The InChIKey is AQMKCSZAALMGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-8-16-11-14(15-3)10-13-7-5-6-12(2)9-13/h5-7,9,14-15H,4,8,10-11H2,1-3H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine?
N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-3-propylsulfanylpropan-2-amine is sourced from PubChem (CID 65129089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).