(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol

C32H36N2O — CID 67765045

IUPAC(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
SMILESNC(c1ccccc1)[C@@H]([C@@H](O)CCCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36N2O/c33-31(29-21-11-4-12-22-29)32(30(35)23-13-20-26-14-5-1-6-15-26)34(24-27-16-7-2-8-17-27)25-28-18-9-3-10-19-28/h1-12,14-19,21-22,30-32,35H,13,20,23-25,33H2/t30-,31?,32+/m0/s1
InChIKeyUTMGNSZMRZNELB-HRFHJXJKSA-N
MW464.65 g/mol
LogP6.14
Rot. Bonds12

About (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol

(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol (PubChem CID 67765045) has the molecular formula C32H36N2O and a molecular weight of 464.65 g/mol. Its IUPAC name is (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
PubChem CID67765045
Molecular FormulaC32H36N2O
Molecular Weight464.65 g/mol
Exact Mass464.28
IUPAC Name(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
SMILESNC(c1ccccc1)[C@@H]([C@@H](O)CCCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C32H36N2O/c33-31(29-21-11-4-12-22-29)32(30(35)23-13-20-26-14-5-1-6-15-26)34(24-27-16-7-2-8-17-27)25-28-18-9-3-10-19-28/h1-12,14-19,21-22,30-32,35H,13,20,23-25,33H2/t30-,31?,32+/m0/s1
InChIKeyUTMGNSZMRZNELB-HRFHJXJKSA-N
XLogP6.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50901274
2-amino-1,4-diphenylbutan-1-ol
CID 10847700
2-methyl-7-phenylheptan-3-ol
CID 10976646
1-amino-6-phenyl-2-pyridin-2-ylhexan-3-ol
CID 80527008
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CID 62608343

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The IUPAC name of (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol (CID 67765045) is (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol.
What is the SMILES notation for (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The canonical SMILES for (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol is NC(c1ccccc1)[C@@H]([C@@H](O)CCCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
The InChIKey is UTMGNSZMRZNELB-HRFHJXJKSA-N. The full InChI is InChI=1S/C32H36N2O/c33-31(29-21-11-4-12-22-29)32(30(35)23-13-20-26-14-5-1-6-15-26)34(24-27-16-7-2-8-17-27)25-28-18-9-3-10-19-28/h1-12,14-19,21-22,30-32,35H,13,20,23-25,33H2/t30-,31?,32+/m0/s1.
What are the key properties of (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol?
(2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol has a molecular weight of 464.65 g/mol, XLogP of 6.14, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol is sourced from PubChem (CID 67765045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).