N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine

C13H21NS — CID 66349587

IUPACN-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
SMILESCCC(C)CSc1cccc(CNC)c1
InChIInChI=1S/C13H21NS/c1-4-11(2)10-15-13-7-5-6-12(8-13)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyKKIBDUZMUGKIDU-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.54
Rot. Bonds6

About N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine

N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine (PubChem CID 66349587) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
PubChem CID66349587
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC NameN-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine
SMILESCCC(C)CSc1cccc(CNC)c1
InChIInChI=1S/C13H21NS/c1-4-11(2)10-15-13-7-5-6-12(8-13)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKeyKKIBDUZMUGKIDU-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine 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-methyl-N-[[3-(2-methylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 66349105
1-[3-(2-ethylhexylsulfanyl)phenyl]-N-methylmethanamine
CID 66348605
N-methyl-1-[3-(3-methylbutylsulfanyl)phenyl]methanamine
CID 66347042
N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66347067
2-[3-(methylaminomethyl)phenyl]sulfanylethanol
CID 66348986
N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
1-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 66347490
4-[3-(methylaminomethyl)phenyl]sulfanylbutanenitrile
CID 66356239
1-(3-but-2-enylsulfanylphenyl)-N-methylmethanamine
CID 77126312
N-methyl-1-[3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanamine
CID 66356441
2-methoxy-N-[[3-(2-methylpentylsulfanyl)phenyl]methyl]ethanamine
CID 66348917
1-(3-but-3-enylsulfanylphenyl)-N-methylmethanamine
CID 66347044

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine (CID 66349587) is N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine is CCC(C)CSc1cccc(CNC)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine?
The InChIKey is KKIBDUZMUGKIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-11(2)10-15-13-7-5-6-12(8-13)9-14-3/h5-8,11,14H,4,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine?
N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine has a molecular weight of 223.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylbutylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66349587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).