2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol

C17H23NOS — CID 106507337

IUPAC2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCCc1ccc(CC(CN)(CO)c2cccc(C)c2)s1
InChIInChI=1S/C17H23NOS/c1-3-15-7-8-16(20-15)10-17(11-18,12-19)14-6-4-5-13(2)9-14/h4-9,19H,3,10-12,18H2,1-2H3
InChIKeyCMYPNQILQBOZCQ-UHFFFAOYSA-N
MW289.44 g/mol
LogP3.05
Rot. Bonds6

About 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol

2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol (PubChem CID 106507337) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
PubChem CID106507337
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol
SMILESCCc1ccc(CC(CN)(CO)c2cccc(C)c2)s1
InChIInChI=1S/C17H23NOS/c1-3-15-7-8-16(20-15)10-17(11-18,12-19)14-6-4-5-13(2)9-14/h4-9,19H,3,10-12,18H2,1-2H3
InChIKeyCMYPNQILQBOZCQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(aminomethyl)-3-(3-bromophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507304
2-(aminomethyl)-4-butoxy-2-(3-methylphenyl)butan-1-ol
CID 106507309
2-(aminomethyl)-3-(5-bromo-2-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507335
2,2-diamino-2-(3-methylphenyl)ethanol
CID 174833042
2-(aminomethyl)-3-cyclopentyl-2-(3-methylphenyl)propan-1-ol
CID 106507357
2-(furan-2-ylmethyl)-2-(3-methylphenyl)propane-1,3-diol
CID 79450066
3-(aminomethyl)-4-(5-ethylthiophen-2-yl)-3-methylbutan-2-ol
CID 65394038
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506959
2-amino-3,3,3-trifluoro-2-(3-methylphenyl)propan-1-ol
CID 130021958
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol (CID 106507337) is 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol is CCc1ccc(CC(CN)(CO)c2cccc(C)c2)s1.
What is the InChIKey of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
The InChIKey is CMYPNQILQBOZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-3-15-7-8-16(20-15)10-17(11-18,12-19)14-6-4-5-13(2)9-14/h4-9,19H,3,10-12,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol?
2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol has a molecular weight of 289.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-ethylthiophen-2-yl)-2-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 106507337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).