(2S)-2-[(dibenzylamino)methyl]butan-1-ol

C19H25NO — CID 102574363

IUPAC(2S)-2-[(dibenzylamino)methyl]butan-1-ol
SMILESCC[C@H](CO)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-2-17(16-21)13-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,21H,2,13-16H2,1H3/t17-/m0/s1
InChIKeyDTNXNGNHXYWIHK-KRWDZBQOSA-N
MW283.42 g/mol
LogP3.71
Rot. Bonds8

About (2S)-2-[(dibenzylamino)methyl]butan-1-ol

(2S)-2-[(dibenzylamino)methyl]butan-1-ol (PubChem CID 102574363) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-[(dibenzylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(dibenzylamino)methyl]butan-1-ol
PubChem CID102574363
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(2S)-2-[(dibenzylamino)methyl]butan-1-ol
SMILESCC[C@H](CO)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H25NO/c1-2-17(16-21)13-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,21H,2,13-16H2,1H3/t17-/m0/s1
InChIKeyDTNXNGNHXYWIHK-KRWDZBQOSA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(dibenzylamino)methyl]butan-1-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

(2R)-2-[(dibenzylamino)methyl]pent-4-en-1-ol
CID 102403190
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
N-benzyl-2-(bromomethyl)-N-propylbutan-1-amine
CID 130848534
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
N'-benzyl-N'-(2-ethylhexyl)ethane-1,2-diamine
CID 63486504
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
4-[benzyl(ethyl)amino]butane-1,3-diol
CID 142177129
2-[benzyl-[(2R)-1-hydroxypropan-2-yl]amino]acetonitrile
CID 71988819
1-(dibenzylamino)propane-2-sulfonic acid
CID 86077306
2-[benzyl(ethyl)amino]butan-1-ol
CID 131985629
2-[[(4-tert-butylphenyl)methyl-methylamino]methyl]butan-1-ol
CID 115250873

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(dibenzylamino)methyl]butan-1-ol?
The IUPAC name of (2S)-2-[(dibenzylamino)methyl]butan-1-ol (CID 102574363) is (2S)-2-[(dibenzylamino)methyl]butan-1-ol.
What is the SMILES notation for (2S)-2-[(dibenzylamino)methyl]butan-1-ol?
The canonical SMILES for (2S)-2-[(dibenzylamino)methyl]butan-1-ol is CC[C@H](CO)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-[(dibenzylamino)methyl]butan-1-ol?
The InChIKey is DTNXNGNHXYWIHK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-17(16-21)13-20(14-18-9-5-3-6-10-18)15-19-11-7-4-8-12-19/h3-12,17,21H,2,13-16H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(dibenzylamino)methyl]butan-1-ol?
(2S)-2-[(dibenzylamino)methyl]butan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(dibenzylamino)methyl]butan-1-ol is sourced from PubChem (CID 102574363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).