N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine

C14H23NS — CID 97355678

IUPACN-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine
SMILESCCCCN(C)CCSc1ccccc1C
InChIInChI=1S/C14H23NS/c1-4-5-10-15(3)11-12-16-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyJFGDJNJALTYYEN-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.82
Rot. Bonds7

About N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine

N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine (PubChem CID 97355678) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine
PubChem CID97355678
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine
SMILESCCCCN(C)CCSc1ccccc1C
InChIInChI=1S/C14H23NS/c1-4-5-10-15(3)11-12-16-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3
InChIKeyJFGDJNJALTYYEN-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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6-(2-methylphenyl)sulfanylhexan-3-amine
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1,2-bis(tricosylsulfanyl)benzene
CID 91011021
N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine
CID 91317814
5-(2-methylphenyl)sulfanylpentan-2-amine
CID 64649281
N-benzyl-N-(2-chloroethyl)-2-(2-methylphenyl)sulfanylethanamine;hydrochloride
CID 24835719
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
1-(2-methylphenyl)sulfanyldecan-2-one
CID 66095469
1-methyl-2-[2-(4-methylphenyl)ethylsulfanyl]benzene
CID 162413618
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CID 70561741

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine?
The IUPAC name of N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine (CID 97355678) is N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine?
The canonical SMILES for N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine is CCCCN(C)CCSc1ccccc1C.
What is the InChIKey of N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine?
The InChIKey is JFGDJNJALTYYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-4-5-10-15(3)11-12-16-14-9-7-6-8-13(14)2/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine?
N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methylphenyl)sulfanylethyl]butan-1-amine is sourced from PubChem (CID 97355678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).