1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine

C18H31NS — CID 106848917

IUPAC1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(SCC)cc1
InChIInChI=1S/C18H31NS/c1-4-6-7-8-9-10-11-18(19-3)16-12-14-17(15-13-16)20-5-2/h12-15,18-19H,4-11H2,1-3H3
InChIKeyZLQXHGZXZVYXBL-UHFFFAOYSA-N
MW293.52 g/mol
LogP5.81
Rot. Bonds11

About 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine

1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine (PubChem CID 106848917) has the molecular formula C18H31NS and a molecular weight of 293.52 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
PubChem CID106848917
Molecular FormulaC18H31NS
Molecular Weight293.52 g/mol
Exact Mass293.22
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
SMILESCCCCCCCCC(NC)c1ccc(SCC)cc1
InChIInChI=1S/C18H31NS/c1-4-6-7-8-9-10-11-18(19-3)16-12-14-17(15-13-16)20-5-2/h12-15,18-19H,4-11H2,1-3H3
InChIKeyZLQXHGZXZVYXBL-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'}

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Related Compounds

1-(4-iodophenyl)-N-methyldecan-1-amine
CID 115831490
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
1-(4-ethylsulfanylphenyl)-5-methyl-N-propylhexan-1-amine
CID 106849361
N-ethyl-1-(4-methylsulfanylphenyl)heptan-1-amine
CID 115833600
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
N-methyl-1-naphthalen-2-ylhexan-1-amine
CID 63416228
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyloctan-1-amine
CID 43483285
1-[4-(2-methoxyethyl)phenyl]-N-methylnonan-1-amine
CID 65450078
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylnonan-1-amine
CID 65447633

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine (CID 106848917) is 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine is CCCCCCCCC(NC)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine?
The InChIKey is ZLQXHGZXZVYXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NS/c1-4-6-7-8-9-10-11-18(19-3)16-12-14-17(15-13-16)20-5-2/h12-15,18-19H,4-11H2,1-3H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine?
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine 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 1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine is sourced from PubChem (CID 106848917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).