2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine

C14H23NS — CID 61386051

IUPAC2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
SMILESCc1ccc(SCCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-12-6-8-13(9-7-12)16-11-5-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyUAGMWNIGIYQTOB-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.87
Rot. Bonds5

About 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine

2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine (PubChem CID 61386051) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
PubChem CID61386051
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine
SMILESCc1ccc(SCCCNC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-12-6-8-13(9-7-12)16-11-5-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyUAGMWNIGIYQTOB-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.87
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

N-tert-butyl-4-(4-methylphenyl)sulfanylbutan-1-amine
CID 62585200
2-methyl-N-(3-phenylsulfanylpropyl)propan-2-amine
CID 61385906
1-butylsulfanyl-4-methylbenzene;ethane
CID 145281456
1-[2-(tert-butylamino)ethyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111765291
1-(6-chlorohexylsulfanyl)-4-methylbenzene
CID 63499124
1-methyl-4-(4-octylsulfanylphenyl)benzene
CID 70387614
2-methyl-5-(4-methylphenyl)sulfanyl-2-(propan-2-ylamino)pentan-1-ol
CID 64805318
N-tert-butyl-3,3-dimethyl-5-phenylsulfanylpentan-1-amine
CID 81023439
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
4-bromo-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194583
4-chloro-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 63517735
N-ethyl-5-(4-methylphenyl)sulfanylpentan-2-amine
CID 64621818

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine (CID 61386051) is 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine is Cc1ccc(SCCCNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine?
The InChIKey is UAGMWNIGIYQTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-12-6-8-13(9-7-12)16-11-5-10-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine?
2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-methylphenyl)sulfanylpropyl]propan-2-amine is sourced from PubChem (CID 61386051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).