3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol

C16H21NOS — CID 66431138

IUPAC3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol
SMILESCC(O)C(CN)(CCc1ccsc1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-13(18)16(12-17,15-5-3-2-4-6-15)9-7-14-8-10-19-11-14/h2-6,8,10-11,13,18H,7,9,12,17H2,1H3
InChIKeyRZZMDOYKGVDWJA-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.96
Rot. Bonds6

About 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol

3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol (PubChem CID 66431138) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol
PubChem CID66431138
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol
SMILESCC(O)C(CN)(CCc1ccsc1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-13(18)16(12-17,15-5-3-2-4-6-15)9-7-14-8-10-19-11-14/h2-6,8,10-11,13,18H,7,9,12,17H2,1H3
InChIKeyRZZMDOYKGVDWJA-UHFFFAOYSA-N
XLogP2.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol (CID 66431138) is 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol is CC(O)C(CN)(CCc1ccsc1)c1ccccc1.
What is the InChIKey of 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol?
The InChIKey is RZZMDOYKGVDWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13(18)16(12-17,15-5-3-2-4-6-15)9-7-14-8-10-19-11-14/h2-6,8,10-11,13,18H,7,9,12,17H2,1H3.
What are the key properties of 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol?
3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol has a molecular weight of 275.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-phenyl-5-thiophen-3-ylpentan-2-ol is sourced from PubChem (CID 66431138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).