N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine

C17H27NOS — CID 66087004

IUPACN-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSc1cccc(C)c1
InChIInChI=1S/C17H27NOS/c1-3-18-15(9-10-16-7-5-11-19-16)13-20-17-8-4-6-14(2)12-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13H2,1-2H3
InChIKeyFGDSFMLGBLZZTA-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.02
Rot. Bonds8

About N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine

N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 66087004) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID66087004
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC NameN-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSc1cccc(C)c1
InChIInChI=1S/C17H27NOS/c1-3-18-15(9-10-16-7-5-11-19-16)13-20-17-8-4-6-14(2)12-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13H2,1-2H3
InChIKeyFGDSFMLGBLZZTA-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
1-cyclobutyl-N-ethyl-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087783
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(3-methylphenyl)sulfanylbutan-2-amine
CID 64626488
N-ethyl-6-methyl-1-(3-methylphenyl)sulfanylheptan-2-amine
CID 83160945
N-ethyl-1-(4-methylphenyl)-3-(3-methylphenyl)sulfanylpropan-2-amine
CID 66087202
N-ethyl-1-(3-methylphenyl)sulfanylhept-6-en-2-amine
CID 66087975
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
N-ethyl-1-[3-[3-(oxolan-2-yl)propylsulfanyl]phenyl]ethanamine
CID 65165461
1-cyclopropyl-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64626290

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine (CID 66087004) is N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)CSc1cccc(C)c1.
What is the InChIKey of N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is FGDSFMLGBLZZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-3-18-15(9-10-16-7-5-11-19-16)13-20-17-8-4-6-14(2)12-17/h4,6,8,12,15-16,18H,3,5,7,9-11,13H2,1-2H3.
What are the key properties of N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine?
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 293.48 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 66087004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).