3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol

C26H31NO — CID 118204770

IUPAC3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
SMILESCC[C@@H](c1cccc(O)c1)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H31NO/c1-3-26(24-15-10-16-25(28)17-24)21(2)18-27(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-17,21,26,28H,3,18-20H2,1-2H3/t21-,26+/m0/s1
InChIKeyDQUZKSVVNATTCK-HFZDXXHNSA-N
MW373.54 g/mol
LogP6.22
Rot. Bonds9

About 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol

3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol (PubChem CID 118204770) has the molecular formula C26H31NO and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol.

Molecular Properties

Compound Name3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
PubChem CID118204770
Molecular FormulaC26H31NO
Molecular Weight373.54 g/mol
Exact Mass373.24
IUPAC Name3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
SMILESCC[C@@H](c1cccc(O)c1)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H31NO/c1-3-26(24-15-10-16-25(28)17-24)21(2)18-27(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-17,21,26,28H,3,18-20H2,1-2H3/t21-,26+/m0/s1
InChIKeyDQUZKSVVNATTCK-HFZDXXHNSA-N
XLogP6.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.54
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dibenzyl-3-(3-methoxyphenyl)-2-methylpentan-1-amine
CID 67306009
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
CID 87967492
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enal
CID 161278873
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;pyridine-3-carboxylic acid
CID 66680084
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 71558543
3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol
CID 126510595

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol?
The IUPAC name of 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol (CID 118204770) is 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol.
What is the SMILES notation for 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol?
The canonical SMILES for 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol is CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol?
The InChIKey is DQUZKSVVNATTCK-HFZDXXHNSA-N. The full InChI is InChI=1S/C26H31NO/c1-3-26(24-15-10-16-25(28)17-24)21(2)18-27(19-22-11-6-4-7-12-22)20-23-13-8-5-9-14-23/h4-17,21,26,28H,3,18-20H2,1-2H3/t21-,26+/m0/s1.
What are the key properties of 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol?
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol has a molecular weight of 373.54 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol is sourced from PubChem (CID 118204770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).