1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol

C25H38N2O4 — CID 42614671

IUPAC1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
SMILESCC(C)(COCC(O)CNCc1ccccc1)COCC(O)CNCc1ccccc1
InChIInChI=1S/C25H38N2O4/c1-25(2,19-30-17-23(28)15-26-13-21-9-5-3-6-10-21)20-31-18-24(29)16-27-14-22-11-7-4-8-12-22/h3-12,23-24,26-29H,13-20H2,1-2H3
InChIKeyMGRVCATYPCDQCG-UHFFFAOYSA-N
MW430.59 g/mol
LogP2.35
Rot. Bonds16

About 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol

1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol (PubChem CID 42614671) has the molecular formula C25H38N2O4 and a molecular weight of 430.59 g/mol. Its IUPAC name is 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol.

Molecular Properties

Compound Name1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
PubChem CID42614671
Molecular FormulaC25H38N2O4
Molecular Weight430.59 g/mol
Exact Mass430.28
IUPAC Name1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol
SMILESCC(C)(COCC(O)CNCc1ccccc1)COCC(O)CNCc1ccccc1
InChIInChI=1S/C25H38N2O4/c1-25(2,19-30-17-23(28)15-26-13-21-9-5-3-6-10-21)20-31-18-24(29)16-27-14-22-11-7-4-8-12-22/h3-12,23-24,26-29H,13-20H2,1-2H3
InChIKeyMGRVCATYPCDQCG-UHFFFAOYSA-N
XLogP2.35
TPSA82.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]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

(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
1-(benzylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989015
(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
CID 98082099
(2S)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5,6,6,7-undecafluoroheptoxy)propan-2-ol
CID 98082100
(2S)-1-(benzylamino)-3-prop-2-enoxypropan-2-ol
CID 34178559
1-[(4-methylphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 60632327
1-[(4-methoxyphenyl)methylamino]-3-phenylmethoxypropan-2-ol
CID 170992001
1-(benzylamino)-3-(4-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 10405576
(2S)-1-(benzylamino)-3-(2-ethoxyphenoxy)propan-2-ol
CID 39424747
3-benzyl-4-[3-(benzylamino)-2-hydroxypropoxy]butan-1-ol
CID 10569400
(2S)-1-(benzylamino)propan-2-ol
CID 964914
1-[(4-methylphenyl)methylamino]-3-phenoxypropan-2-ol
CID 54856606

Frequently Asked Questions

What is the IUPAC name of 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol?
The IUPAC name of 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol (CID 42614671) is 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol.
What is the SMILES notation for 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol?
The canonical SMILES for 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol is CC(C)(COCC(O)CNCc1ccccc1)COCC(O)CNCc1ccccc1.
What is the InChIKey of 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol?
The InChIKey is MGRVCATYPCDQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O4/c1-25(2,19-30-17-23(28)15-26-13-21-9-5-3-6-10-21)20-31-18-24(29)16-27-14-22-11-7-4-8-12-22/h3-12,23-24,26-29H,13-20H2,1-2H3.
What are the key properties of 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol?
1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol has a molecular weight of 430.59 g/mol, XLogP of 2.35, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylamino)-3-[3-[3-(benzylamino)-2-hydroxypropoxy]-2,2-dimethylpropoxy]propan-2-ol is sourced from PubChem (CID 42614671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).