1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

C16H25NOS — CID 106848877

IUPAC1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCSc1ccc(C(CCC2CCCO2)NC)cc1
InChIInChI=1S/C16H25NOS/c1-3-19-15-9-6-13(7-10-15)16(17-2)11-8-14-5-4-12-18-14/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3
InChIKeyQKAMBIKFFRJUBK-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine

1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (PubChem CID 106848877) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
PubChem CID106848877
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
SMILESCCSc1ccc(C(CCC2CCCO2)NC)cc1
InChIInChI=1S/C16H25NOS/c1-3-19-15-9-6-13(7-10-15)16(17-2)11-8-14-5-4-12-18-14/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3
InChIKeyQKAMBIKFFRJUBK-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65154712
N-methyl-3-(oxolan-2-yl)-1-pyridin-4-ylpropan-1-amine
CID 65167446
N-methyl-3-(oxolan-2-yl)-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 115852134
1-(3-bromo-4-methylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 104993732
N-methyl-3-(oxan-2-yl)-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 63951733
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
N-methyl-1-(5-methylthiophen-3-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104991220
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 65299103
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 107946074

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine (CID 106848877) is 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is CCSc1ccc(C(CCC2CCCO2)NC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is QKAMBIKFFRJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-3-19-15-9-6-13(7-10-15)16(17-2)11-8-14-5-4-12-18-14/h6-7,9-10,14,16-17H,3-5,8,11-12H2,1-2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine?
1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 106848877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).