[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol

C20H29NOS — CID 54331885

IUPAC[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol
SMILESCC(C)N(CCC(c1cccs1)c1ccccc1CO)C(C)C
InChIInChI=1S/C20H29NOS/c1-15(2)21(16(3)4)12-11-19(20-10-7-13-23-20)18-9-6-5-8-17(18)14-22/h5-10,13,15-16,19,22H,11-12,14H2,1-4H3
InChIKeySYXHYQHEKPUAFT-UHFFFAOYSA-N
MW331.53 g/mol
LogP4.88
Rot. Bonds8

About [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol

[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol (PubChem CID 54331885) has the molecular formula C20H29NOS and a molecular weight of 331.53 g/mol. Its IUPAC name is [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol
PubChem CID54331885
Molecular FormulaC20H29NOS
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC Name[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol
SMILESCC(C)N(CCC(c1cccs1)c1ccccc1CO)C(C)C
InChIInChI=1S/C20H29NOS/c1-15(2)21(16(3)4)12-11-19(20-10-7-13-23-20)18-9-6-5-8-17(18)14-22/h5-10,13,15-16,19,22H,11-12,14H2,1-4H3
InChIKeySYXHYQHEKPUAFT-UHFFFAOYSA-N
XLogP4.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.53
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol?
The IUPAC name of [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol (CID 54331885) is [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol.
What is the SMILES notation for [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol?
The canonical SMILES for [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol is CC(C)N(CCC(c1cccs1)c1ccccc1CO)C(C)C.
What is the InChIKey of [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol?
The InChIKey is SYXHYQHEKPUAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NOS/c1-15(2)21(16(3)4)12-11-19(20-10-7-13-23-20)18-9-6-5-8-17(18)14-22/h5-10,13,15-16,19,22H,11-12,14H2,1-4H3.
What are the key properties of [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol?
[2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol has a molecular weight of 331.53 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[di(propan-2-yl)amino]-1-thiophen-2-ylpropyl]phenyl]methanol is sourced from PubChem (CID 54331885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).