2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol

C14H23NOS — CID 116959909

IUPAC2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
SMILESCCSc1ccc(C(NC)C(CC)CO)cc1
InChIInChI=1S/C14H23NOS/c1-4-11(10-16)14(15-3)12-6-8-13(9-7-12)17-5-2/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyRFIVZPDUAQBKHZ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.08
Rot. Bonds7

About 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol

2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol (PubChem CID 116959909) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
PubChem CID116959909
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol
SMILESCCSc1ccc(C(NC)C(CC)CO)cc1
InChIInChI=1S/C14H23NOS/c1-4-11(10-16)14(15-3)12-6-8-13(9-7-12)17-5-2/h6-9,11,14-16H,4-5,10H2,1-3H3
InChIKeyRFIVZPDUAQBKHZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylsulfanylphenyl)-1-(methylamino)propan-2-ol
CID 116859470
2-ethyl-1-(4-ethylsulfanylphenyl)-N-propylbutan-1-amine
CID 106849374
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
2-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]butan-1-ol
CID 116959867
2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116931016
2-ethyl-1-(4-ethylsulfanylphenyl)-N'-methylpropane-1,3-diamine
CID 116946508
2-(4-ethylsulfanylphenyl)-2-(methylamino)acetic acid
CID 82473470
2,3-diamino-3-(4-ethylsulfanylphenyl)propan-1-ol
CID 116942412
2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252075
5-[2-(hydroxymethyl)-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116959878
4-(4-ethylsulfanylphenyl)-4-(methylamino)butan-2-one
CID 116956055

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol?
The IUPAC name of 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol (CID 116959909) is 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol?
The canonical SMILES for 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol is CCSc1ccc(C(NC)C(CC)CO)cc1.
What is the InChIKey of 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol?
The InChIKey is RFIVZPDUAQBKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-11(10-16)14(15-3)12-6-8-13(9-7-12)17-5-2/h6-9,11,14-16H,4-5,10H2,1-3H3.
What are the key properties of 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol?
2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylsulfanylphenyl)-(methylamino)methyl]butan-1-ol is sourced from PubChem (CID 116959909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).