(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

C29H38N2O2 — CID 92836389

IUPAC(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1[C@H](C)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N2O2/c1-22(2)31-20-26(32)21-33-29-17-11-10-16-27(29)23(3)30-19-18-28(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,22-23,26,28,30-32H,18-21H2,1-3H3/t23-,26+/m0/s1
InChIKeyGROTYYBFINPTFV-JYFHCDHNSA-N
MW446.64 g/mol
LogP5.30
Rot. Bonds13

About (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol

(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 92836389) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID92836389
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1ccccc1[C@H](C)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H38N2O2/c1-22(2)31-20-26(32)21-33-29-17-11-10-16-27(29)23(3)30-19-18-28(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,22-23,26,28,30-32H,18-21H2,1-3H3/t23-,26+/m0/s1
InChIKeyGROTYYBFINPTFV-JYFHCDHNSA-N
XLogP5.30
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-[1-(4-chlorophenyl)ethylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138960352
1-(2,2-diphenylethoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 51063228
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 92836389) is (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1ccccc1[C@H](C)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is GROTYYBFINPTFV-JYFHCDHNSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-22(2)31-20-26(32)21-33-29-17-11-10-16-27(29)23(3)30-19-18-28(24-12-6-4-7-13-24)25-14-8-5-9-15-25/h4-17,22-23,26,28,30-32H,18-21H2,1-3H3/t23-,26+/m0/s1.
What are the key properties of (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 446.64 g/mol, XLogP of 5.30, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(1S)-1-(3,3-diphenylpropylamino)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 92836389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).