3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol

C14H23NOS — CID 66127937

IUPAC3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
SMILESCCNC(CSCCCO)c1ccc(C)cc1
InChIInChI=1S/C14H23NOS/c1-3-15-14(11-17-10-4-9-16)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyCHWFWMDUZVBXMC-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.76
Rot. Bonds8

About 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol

3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol (PubChem CID 66127937) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
PubChem CID66127937
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol
SMILESCCNC(CSCCCO)c1ccc(C)cc1
InChIInChI=1S/C14H23NOS/c1-3-15-14(11-17-10-4-9-16)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3
InChIKeyCHWFWMDUZVBXMC-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(ethylamino)-3-(4-methylphenyl)propan-1-ol
CID 64813855
N-[1-(4-methylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 64614922
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504
N-ethyl-1-(4-phenylphenyl)-2-propylsulfanylethanamine
CID 64614907
1-(3,4-dimethylphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107762984
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867
3-[2-(4-tert-butylphenyl)-2-(ethylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66105660
4-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]propyl]phenol
CID 106309497
2-butylsulfanyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-ethylethanamine
CID 64609651
N-ethyl-2-ethylsulfanyl-1-phenylethanamine
CID 64613608

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol?
The IUPAC name of 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol (CID 66127937) is 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol.
What is the SMILES notation for 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol?
The canonical SMILES for 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol is CCNC(CSCCCO)c1ccc(C)cc1.
What is the InChIKey of 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol?
The InChIKey is CHWFWMDUZVBXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-15-14(11-17-10-4-9-16)13-7-5-12(2)6-8-13/h5-8,14-16H,3-4,9-11H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol?
3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(4-methylphenyl)ethyl]sulfanylpropan-1-ol is sourced from PubChem (CID 66127937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).