2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine

C14H23NS — CID 117035500

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
SMILESCNCC(Sc1cc(C)ccc1C)C(C)C
InChIInChI=1S/C14H23NS/c1-10(2)14(9-15-5)16-13-8-11(3)6-7-12(13)4/h6-8,10,14-15H,9H2,1-5H3
InChIKeyLWXRFYZLBMUBSZ-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine

2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine (PubChem CID 117035500) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
PubChem CID117035500
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
SMILESCNCC(Sc1cc(C)ccc1C)C(C)C
InChIInChI=1S/C14H23NS/c1-10(2)14(9-15-5)16-13-8-11(3)6-7-12(13)4/h6-8,10,14-15H,9H2,1-5H3
InChIKeyLWXRFYZLBMUBSZ-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-3-methylphenyl)sulfanyl-N,3-dimethylbutan-1-amine
CID 117035507
1-(2,5-dimethylphenyl)sulfanylethanamine
CID 117032475
N-(2,5-dimethylphenyl)sulfanylmethanamine
CID 117033774
2-(2,5-dimethylphenyl)sulfanyl-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 64650586
2-(2,5-dimethylphenyl)sulfanyl-N-ethylpentan-3-amine
CID 64649608
2-(2,5-dimethylphenyl)sulfanylpropanoic acid
CID 16785629
(2R)-2-(2,5-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 7458289
4-(2,5-dimethylphenyl)sulfanyl-2-methyl-2-(methylamino)pentanamide
CID 64710913
2-(2,5-dimethylphenyl)sulfanyl-N-(furan-2-ylmethyl)propan-1-amine
CID 62584859
4-(2,5-dimethylphenyl)sulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711087
3-(2-fluoro-5-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 64855623
N-(2,5-dimethylphenyl)-N,3-dimethyl-2-(methylaminomethyl)butanamide
CID 115187668

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine (CID 117035500) is 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine is CNCC(Sc1cc(C)ccc1C)C(C)C.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
The InChIKey is LWXRFYZLBMUBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)14(9-15-5)16-13-8-11(3)6-7-12(13)4/h6-8,10,14-15H,9H2,1-5H3.
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine?
2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 117035500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).