N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine

C15H25NS — CID 79444367

IUPACN-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
SMILESCCNC(CSc1ccccc1C)C(C)CC
InChIInChI=1S/C15H25NS/c1-5-12(3)14(16-6-2)11-17-15-10-8-7-9-13(15)4/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyLNXFGIHSZSGGIK-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.11
Rot. Bonds7

About N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine

N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine (PubChem CID 79444367) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
PubChem CID79444367
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC NameN-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine
SMILESCCNC(CSc1ccccc1C)C(C)CC
InChIInChI=1S/C15H25NS/c1-5-12(3)14(16-6-2)11-17-15-10-8-7-9-13(15)4/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyLNXFGIHSZSGGIK-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-1-(2-methylphenyl)sulfanylhexan-2-amine
CID 66097381
1-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66097384
1-ethoxy-N-ethyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 79574324
1-(3,5-difluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66098648
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
1-(2-bromophenyl)sulfanyl-3-methyl-N-propylpentan-2-amine
CID 79445979
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096970
N-ethyl-1-(2-methylphenyl)sulfanylpent-4-en-2-amine
CID 66096345
N-ethyl-1-(2-methylphenyl)sulfanylhex-5-yn-2-amine
CID 66096759
1-(2,2-dimethoxyethylsulfanyl)-2-methylbenzene
CID 66221073
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
1-(ethylamino)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 60892013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine?
The IUPAC name of N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine (CID 79444367) is N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine is CCNC(CSc1ccccc1C)C(C)CC.
What is the InChIKey of N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine?
The InChIKey is LNXFGIHSZSGGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-12(3)14(16-6-2)11-17-15-10-8-7-9-13(15)4/h7-10,12,14,16H,5-6,11H2,1-4H3.
What are the key properties of N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine?
N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine has a molecular weight of 251.44 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-1-(2-methylphenyl)sulfanylpentan-2-amine is sourced from PubChem (CID 79444367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).