2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol

C14H23NOS — CID 83935827

IUPAC2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
SMILESCCSc1ccc(CC(C)C(CN)CO)cc1
InChIInChI=1S/C14H23NOS/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3
InChIKeyQQVRELFPBAFXAW-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.54
Rot. Bonds7

About 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol

2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol (PubChem CID 83935827) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
PubChem CID83935827
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol
SMILESCCSc1ccc(CC(C)C(CN)CO)cc1
InChIInChI=1S/C14H23NOS/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3
InChIKeyQQVRELFPBAFXAW-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylsulfanylphenyl)methyl]-3-methylbutan-1-ol
CID 116931016
2-(aminomethyl)-4-(4-ethoxyphenyl)-3-methylbutan-1-ol
CID 83932188
2-[(4-ethylsulfanylphenyl)methyl]butan-1-amine
CID 116930905
2-[[(4-ethylsulfanylphenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252075
(4-ethylsulfanylphenyl)methanamine
CID 12842467
1-(4-ethylsulfanylphenyl)butan-2-ol
CID 91658585
2-(aminomethyl)-4-(3,4-dipropoxyphenyl)-3-methylbutan-1-ol
CID 83931978
1-(4-ethylsulfanylphenyl)-2-methylpropane-1,3-diamine
CID 116933128
2-(aminomethyl)-4-(4-methoxy-3-propan-2-ylphenyl)-3-methylbutan-1-ol
CID 83926807
2-amino-2-(4-ethylsulfanylphenyl)ethanol
CID 77129802
1-ethylsulfanyl-4-(2-methylbut-3-ynyl)benzene
CID 83935870
2-[1-(4-ethylsulfanylphenyl)propan-2-yl]-3-methyloxirane
CID 83935899

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol (CID 83935827) is 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol is CCSc1ccc(CC(C)C(CN)CO)cc1.
What is the InChIKey of 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol?
The InChIKey is QQVRELFPBAFXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-3-17-14-6-4-12(5-7-14)8-11(2)13(9-15)10-16/h4-7,11,13,16H,3,8-10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol has a molecular weight of 253.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(4-ethylsulfanylphenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 83935827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).