3-butoxy-2-(dibenzylamino)propan-1-ol

C21H29NO2 — CID 163833677

IUPAC3-butoxy-2-(dibenzylamino)propan-1-ol
SMILESCCCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-14-24-18-21(17-23)22(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,21,23H,2-3,14-18H2,1H3
InChIKeyQQRRYTVHYMTWRR-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.87
Rot. Bonds11

About 3-butoxy-2-(dibenzylamino)propan-1-ol

3-butoxy-2-(dibenzylamino)propan-1-ol (PubChem CID 163833677) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-butoxy-2-(dibenzylamino)propan-1-ol.

Molecular Properties

Compound Name3-butoxy-2-(dibenzylamino)propan-1-ol
PubChem CID163833677
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-butoxy-2-(dibenzylamino)propan-1-ol
SMILESCCCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H29NO2/c1-2-3-14-24-18-21(17-23)22(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,21,23H,2-3,14-18H2,1H3
InChIKeyQQRRYTVHYMTWRR-UHFFFAOYSA-N
XLogP3.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
3-[2-(2-azidoethoxy)ethoxy]-2-(dibenzylamino)propan-1-ol
CID 162489627
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
(2R)-2-(dibenzylamino)butane-1,4-diol
CID 122547944
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)pentan-1-ol
CID 15420140
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
2-[benzyl-[(2S)-1-hydroxypentan-2-yl]amino]acetonitrile
CID 11550414
butoxymethylbenzene;ethane
CID 145341806
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-(dibenzylamino)propan-1-ol?
The IUPAC name of 3-butoxy-2-(dibenzylamino)propan-1-ol (CID 163833677) is 3-butoxy-2-(dibenzylamino)propan-1-ol.
What is the SMILES notation for 3-butoxy-2-(dibenzylamino)propan-1-ol?
The canonical SMILES for 3-butoxy-2-(dibenzylamino)propan-1-ol is CCCCOCC(CO)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-butoxy-2-(dibenzylamino)propan-1-ol?
The InChIKey is QQRRYTVHYMTWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-2-3-14-24-18-21(17-23)22(15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,21,23H,2-3,14-18H2,1H3.
What are the key properties of 3-butoxy-2-(dibenzylamino)propan-1-ol?
3-butoxy-2-(dibenzylamino)propan-1-ol has a molecular weight of 327.47 g/mol, XLogP of 3.87, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-(dibenzylamino)propan-1-ol is sourced from PubChem (CID 163833677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).