N-methyl-1-(3-nonylsulfanylphenyl)ethanamine

C18H31NS — CID 64664208

IUPACN-methyl-1-(3-nonylsulfanylphenyl)ethanamine
SMILESCCCCCCCCCSc1cccc(C(C)NC)c1
InChIInChI=1S/C18H31NS/c1-4-5-6-7-8-9-10-14-20-18-13-11-12-17(15-18)16(2)19-3/h11-13,15-16,19H,4-10,14H2,1-3H3
InChIKeyIEMHWHZYZMKGJD-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.81
Rot. Bonds11

About N-methyl-1-(3-nonylsulfanylphenyl)ethanamine

N-methyl-1-(3-nonylsulfanylphenyl)ethanamine (PubChem CID 64664208) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is N-methyl-1-(3-nonylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-nonylsulfanylphenyl)ethanamine
PubChem CID64664208
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC NameN-methyl-1-(3-nonylsulfanylphenyl)ethanamine
SMILESCCCCCCCCCSc1cccc(C(C)NC)c1
InChIInChI=1S/C18H31NS/c1-4-5-6-7-8-9-10-14-20-18-13-11-12-17(15-18)16(2)19-3/h11-13,15-16,19H,4-10,14H2,1-3H3
InChIKeyIEMHWHZYZMKGJD-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-1-(3-nonylsulfanylphenyl)ethanamine 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

N-methyl-1-(3-pentylsulfanylphenyl)ethanamine
CID 64663527
N-[1-(3-heptylsulfanylphenyl)ethyl]propan-1-amine
CID 64665512
4-[3-[1-(methylamino)ethyl]phenyl]sulfanylbutan-1-ol
CID 64661544
1-(3-octylsulfanylphenyl)ethanamine
CID 64662322
N-methyl-1-[3-(2-propoxyethylsulfanyl)phenyl]ethanamine
CID 106458178
1-[3-(3,3-dimethylbutylsulfanyl)phenyl]-N-methylethanamine
CID 64665486
5-[3-[1-(ethylamino)ethyl]phenyl]sulfanylpentan-1-ol
CID 64665070
6-[3-[1-(ethylamino)ethyl]phenyl]sulfanylhexan-1-ol
CID 107707219
1-[3-[2-(3-methoxypropoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 103184258
1-[3-[2-(2-methoxyethoxy)ethylsulfanyl]phenyl]-N-methylethanamine
CID 64663152
N-methyl-1-[3-(2,2,2-trifluoroethylsulfanyl)phenyl]ethanamine
CID 64661334
N-ethyl-1-[3-(2-phenylsulfanylethylsulfanyl)phenyl]ethanamine
CID 79205935

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-nonylsulfanylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(3-nonylsulfanylphenyl)ethanamine (CID 64664208) is N-methyl-1-(3-nonylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(3-nonylsulfanylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(3-nonylsulfanylphenyl)ethanamine is CCCCCCCCCSc1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-1-(3-nonylsulfanylphenyl)ethanamine?
The InChIKey is IEMHWHZYZMKGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-5-6-7-8-9-10-14-20-18-13-11-12-17(15-18)16(2)19-3/h11-13,15-16,19H,4-10,14H2,1-3H3.
What are the key properties of N-methyl-1-(3-nonylsulfanylphenyl)ethanamine?
N-methyl-1-(3-nonylsulfanylphenyl)ethanamine has a molecular weight of 293.52 g/mol, XLogP of 5.81, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-nonylsulfanylphenyl)ethanamine is sourced from PubChem (CID 64664208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).