(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol

C16H27NO4 — CID 95232031

IUPAC(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCCCN(CCO)C[C@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO4/c1-3-8-17(9-10-18)11-15(19)13-21-12-14-4-6-16(20-2)7-5-14/h4-7,15,18-19H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyAXZCMADUJNITMV-HNNXBMFYSA-N
MW297.39 g/mol
LogP1.28
Rot. Bonds11

About (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol

(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol (PubChem CID 95232031) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
PubChem CID95232031
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
SMILESCCCN(CCO)C[C@H](O)COCc1ccc(OC)cc1
InChIInChI=1S/C16H27NO4/c1-3-8-17(9-10-18)11-15(19)13-21-12-14-4-6-16(20-2)7-5-14/h4-7,15,18-19H,3,8-13H2,1-2H3/t15-/m0/s1
InChIKeyAXZCMADUJNITMV-HNNXBMFYSA-N
XLogP1.28
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenylmethoxypropan-2-ol
CID 93160595
4-[(4-methoxyphenyl)methoxy]butane-1,3-diol
CID 44629983
1-[bis(2-hydroxyethyl)amino]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol chloride
CID 53347350
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1,4-bis[(4-methoxyphenyl)methoxy]butan-2-ol
CID 14814213
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 93160592
(2R)-1-(4-fluoro-N-methylanilino)-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 52528617
1-[(4-methoxyphenyl)methyl-propylamino]-3-phenoxypropan-2-ol
CID 24717288
1-[cyclopropylmethyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007631
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol (CID 95232031) is (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol is CCCN(CCO)C[C@H](O)COCc1ccc(OC)cc1.
What is the InChIKey of (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
The InChIKey is AXZCMADUJNITMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-8-17(9-10-18)11-15(19)13-21-12-14-4-6-16(20-2)7-5-14/h4-7,15,18-19H,3,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol?
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol has a molecular weight of 297.39 g/mol, XLogP of 1.28, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 95232031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).