N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine

C16H27NS — CID 66097381

IUPACN-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
SMILESCCNC(CSc1ccccc1C)CC(C)CC
InChIInChI=1S/C16H27NS/c1-5-13(3)11-15(17-6-2)12-18-16-10-8-7-9-14(16)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyJEQGOJLFLFUJKG-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.50
Rot. Bonds8

About N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine

N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine (PubChem CID 66097381) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
PubChem CID66097381
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC NameN-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
SMILESCCNC(CSc1ccccc1C)CC(C)CC
InChIInChI=1S/C16H27NS/c1-5-13(3)11-15(17-6-2)12-18-16-10-8-7-9-14(16)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3
InChIKeyJEQGOJLFLFUJKG-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66141352
N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
CID 79444367
N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
1-(4-bromophenyl)sulfanyl-N-ethyl-4-methylhexan-2-amine
CID 66057294
1-[(2S)-3-chloro-2-methylpropyl]sulfanyl-2-methylbenzene
CID 129369859
1-(2-bromophenyl)sulfanyl-N,4-diethylhexan-2-amine
CID 82922636
N-ethyl-4-methyl-1-phenylsulfanylpentan-2-amine
CID 65143197
N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66098442
4-methyl-1-(2-methylphenyl)sulfanyl-N-propylpent-4-en-2-amine
CID 79185729
N-ethyl-1-(2-methoxyphenyl)sulfanylbutan-2-amine
CID 64627121

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine?
The IUPAC name of N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine (CID 66097381) is N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine?
The canonical SMILES for N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine is CCNC(CSc1ccccc1C)CC(C)CC.
What is the InChIKey of N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine?
The InChIKey is JEQGOJLFLFUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-13(3)11-15(17-6-2)12-18-16-10-8-7-9-14(16)4/h7-10,13,15,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine?
N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine is sourced from PubChem (CID 66097381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).