1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol

C17H23NO2S — CID 70556927

IUPAC1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol
SMILESCC(C)(C)N(CC(O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NO2S/c1-17(2,3)18(16-10-7-11-21-16)12-14(19)13-20-15-8-5-4-6-9-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyBEPKOLCWJRWVCQ-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.79
Rot. Bonds6

About 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol

1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol (PubChem CID 70556927) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol
PubChem CID70556927
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol
SMILESCC(C)(C)N(CC(O)COc1ccccc1)c1cccs1
InChIInChI=1S/C17H23NO2S/c1-17(2,3)18(16-10-7-11-21-16)12-14(19)13-20-15-8-5-4-6-9-15/h4-11,14,19H,12-13H2,1-3H3
InChIKeyBEPKOLCWJRWVCQ-UHFFFAOYSA-N
XLogP3.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[benzyl(tert-butyl)amino]-3-phenoxypropan-2-ol
CID 4994762
1-[2-[bis(2-hydroxy-3-phenoxypropyl)amino]ethyl-(2-hydroxy-3-phenoxypropyl)amino]-3-phenoxypropan-2-ol
CID 4019354
(2S)-1-(N-methylanilino)-3-phenoxypropan-2-ol
CID 10934135
(2S)-1-[4-[bis[(2R)-2-hydroxy-3-phenoxypropyl]amino]-N-[(2S)-2-hydroxy-3-phenoxypropyl]anilino]-3-phenoxypropan-2-ol
CID 99654291
(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
CID 2093744
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
1-[benzyl-[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 132585802
(2S)-1-[4-[(2R)-2-hydroxy-3-(N-methylanilino)propoxy]phenoxy]-3-(N-methylanilino)propan-2-ol
CID 1232760
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2R)-1-[2-methylpropyl(thiophen-3-ylmethyl)amino]-3-phenoxypropan-2-ol
CID 93162445
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol (CID 70556927) is 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol is CC(C)(C)N(CC(O)COc1ccccc1)c1cccs1.
What is the InChIKey of 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol?
The InChIKey is BEPKOLCWJRWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-17(2,3)18(16-10-7-11-21-16)12-14(19)13-20-15-8-5-4-6-9-15/h4-11,14,19H,12-13H2,1-3H3.
What are the key properties of 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol?
1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol has a molecular weight of 305.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(thiophen-2-yl)amino]-3-phenoxypropan-2-ol is sourced from PubChem (CID 70556927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).