(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol

C16H27NO3 — CID 95231993

IUPAC(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCCN(CCO)C[C@H](O)COc1ccccc1C
InChIInChI=1S/C16H27NO3/c1-3-4-9-17(10-11-18)12-15(19)13-20-16-8-6-5-7-14(16)2/h5-8,15,18-19H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyGAMJRPFZFUWYMF-HNNXBMFYSA-N
MW281.40 g/mol
LogP1.83
Rot. Bonds10

About (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol

(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 95231993) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID95231993
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
SMILESCCCCN(CCO)C[C@H](O)COc1ccccc1C
InChIInChI=1S/C16H27NO3/c1-3-4-9-17(10-11-18)12-15(19)13-20-16-8-6-5-7-14(16)2/h5-8,15,18-19H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyGAMJRPFZFUWYMF-HNNXBMFYSA-N
XLogP1.83
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-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-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-[bis(2-methylpropyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 2915985
(2S)-1-[benzyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161495
1-(2-aminophenoxy)-3-[bis(2-hydroxyethyl)amino]propan-2-ol
CID 61244457
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-[cyclopropylmethyl(propyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 78782947
1-[bis(prop-2-ynyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 111490400
1-[bis(2-hydroxyethyl)amino]-3-(4-chloro-2-methylphenoxy)propan-2-ol;hydrochloride
CID 44828171
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
1-(dibutylamino)-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 2915319

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol (CID 95231993) is (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol is CCCCN(CCO)C[C@H](O)COc1ccccc1C.
What is the InChIKey of (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is GAMJRPFZFUWYMF-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-3-4-9-17(10-11-18)12-15(19)13-20-16-8-6-5-7-14(16)2/h5-8,15,18-19H,3-4,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol?
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 281.40 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 95231993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).