(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol

C22H31NO4 — CID 7832325

IUPAC(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H31NO4/c1-17(2)23(13-18-8-6-5-7-9-18)14-20(24)16-27-15-19-10-11-21(25-3)22(12-19)26-4/h5-12,17,20,24H,13-16H2,1-4H3/t20-/m1/s1
InChIKeyNYKRFSBGDLNHNH-HXUWFJFHSA-N
MW373.49 g/mol
LogP3.49
Rot. Bonds11

About (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol

(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol (PubChem CID 7832325) has the molecular formula C22H31NO4 and a molecular weight of 373.49 g/mol. Its IUPAC name is (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
PubChem CID7832325
Molecular FormulaC22H31NO4
Molecular Weight373.49 g/mol
Exact Mass373.23
IUPAC Name(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
SMILESCOc1ccc(COC[C@H](O)CN(Cc2ccccc2)C(C)C)cc1OC
InChIInChI=1S/C22H31NO4/c1-17(2)23(13-18-8-6-5-7-9-18)14-20(24)16-27-15-19-10-11-21(25-3)22(12-19)26-4/h5-12,17,20,24H,13-16H2,1-4H3/t20-/m1/s1
InChIKeyNYKRFSBGDLNHNH-HXUWFJFHSA-N
XLogP3.49
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(3,4-dimethoxyphenyl)methyl-propan-2-ylamino]-3-prop-2-ynoxypropan-2-ol
CID 93160945
1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 42682374
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
(2R)-1-[[(2R)-butan-2-yl]-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732497
benzyl-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-propan-2-ylazanium
CID 7832322
(2R)-1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160909
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46006868
1-[(2-methylphenyl)methyl-propan-2-ylamino]-3-phenylmethoxypropan-2-ol
CID 46007981
1-[butan-2-yl-[(4-methylphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007544
1-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]-3-phenoxypropan-2-ol
CID 46006860
(2R)-1-[[(2S)-butan-2-yl]-[(3-methoxyphenyl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 99732505
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol?
The IUPAC name of (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol (CID 7832325) is (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol is COc1ccc(COC[C@H](O)CN(Cc2ccccc2)C(C)C)cc1OC.
What is the InChIKey of (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol?
The InChIKey is NYKRFSBGDLNHNH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31NO4/c1-17(2)23(13-18-8-6-5-7-9-18)14-20(24)16-27-15-19-10-11-21(25-3)22(12-19)26-4/h5-12,17,20,24H,13-16H2,1-4H3/t20-/m1/s1.
What are the key properties of (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol?
(2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol has a molecular weight of 373.49 g/mol, XLogP of 3.49, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(propan-2-yl)amino]-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol is sourced from PubChem (CID 7832325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).