(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol

C25H30N2O — CID 11337812

IUPAC(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol
SMILESC[C@@H]([C@@H](O)CNCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H30N2O/c1-21(25(28)18-26-17-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,25-26,28H,17-20H2,1H3/t21-,25-/m0/s1
InChIKeyQWSUGMDPCZDVOR-OFVILXPXSA-N
MW374.53 g/mol
LogP4.23
Rot. Bonds10

About (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol

(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol (PubChem CID 11337812) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol
PubChem CID11337812
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol
SMILESC[C@@H]([C@@H](O)CNCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H30N2O/c1-21(25(28)18-26-17-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,25-26,28H,17-20H2,1H3/t21-,25-/m0/s1
InChIKeyQWSUGMDPCZDVOR-OFVILXPXSA-N
XLogP4.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(benzylamino)propan-2-ol
CID 964914
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
(2R,3S)-3-(dibenzylamino)-1-nitrobutan-2-ol
CID 11964376
(2R,3S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 101125949
(2S)-3-(dibenzylamino)-2-hydroxybutanoic acid
CID 118253863
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
1-(benzylamino)-3-methylidenepentan-2-ol
CID 131995330
(2S,3S)-2-N,2-N,3-N-tribenzylheptane-2,3-diamine
CID 14791984
(2S,3S,5R)-2-(dibenzylamino)octadecane-3,5-diol
CID 102452304
(2S)-1-[[4-(N-phenylanilino)phenyl]methylamino]propan-2-ol
CID 51923142

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol?
The IUPAC name of (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol (CID 11337812) is (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol.
What is the SMILES notation for (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol?
The canonical SMILES for (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol is C[C@@H]([C@@H](O)CNCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol?
The InChIKey is QWSUGMDPCZDVOR-OFVILXPXSA-N. The full InChI is InChI=1S/C25H30N2O/c1-21(25(28)18-26-17-22-11-5-2-6-12-22)27(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-16,21,25-26,28H,17-20H2,1H3/t21-,25-/m0/s1.
What are the key properties of (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol?
(2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol has a molecular weight of 374.53 g/mol, XLogP of 4.23, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzylamino)-3-(dibenzylamino)butan-2-ol is sourced from PubChem (CID 11337812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).