(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol

C25H29NO — CID 58894379

IUPAC(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
SMILESCC[C@@H](O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H29NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24-25,27H,2,18-20H2,1H3/t24-,25-/m1/s1
InChIKeyFSAAOINTNBCPBE-JWQCQUIFSA-N
MW359.51 g/mol
LogP5.07
Rot. Bonds9

About (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol

(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol (PubChem CID 58894379) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
PubChem CID58894379
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
SMILESCC[C@@H](O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H29NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24-25,27H,2,18-20H2,1H3/t24-,25-/m1/s1
InChIKeyFSAAOINTNBCPBE-JWQCQUIFSA-N
XLogP5.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
(3S,4S)-3-(dibenzylamino)-4-hydroxyhexanoic acid
CID 11759226
(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
ethyl (3S,4S)-4-(dibenzylamino)-3-hydroxy-5-phenylpentanoate
CID 14463509
(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
CID 70292967
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239
(2R,3S)-3-(dibenzylamino)-1-pentylsulfanyl-4-phenylbutan-2-ol
CID 102512935
[(2R,3S)-3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] pent-2-enoate
CID 57354978
ethyl (3R,4R)-4-(dibenzylamino)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
CID 11213030
N,N-dibenzyl-2-methyl-1-phenylhexan-3-amine
CID 142069158
(2S,3R,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315874

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol?
The IUPAC name of (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol (CID 58894379) is (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol.
What is the SMILES notation for (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol?
The canonical SMILES for (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol is CC[C@@H](O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol?
The InChIKey is FSAAOINTNBCPBE-JWQCQUIFSA-N. The full InChI is InChI=1S/C25H29NO/c1-2-25(27)24(18-21-12-6-3-7-13-21)26(19-22-14-8-4-9-15-22)20-23-16-10-5-11-17-23/h3-17,24-25,27H,2,18-20H2,1H3/t24-,25-/m1/s1.
What are the key properties of (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol?
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol has a molecular weight of 359.51 g/mol, XLogP of 5.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol is sourced from PubChem (CID 58894379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).