2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol

C22H32N2O — CID 92574114

IUPAC2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(C)(C)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N2O/c1-21(2,16-23-22(3,4)17-25)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20,23-25H,15-17H2,1-4H3/t20-/m0/s1
InChIKeyOBGGOLINWSHCGU-FQEVSTJZSA-N
MW340.51 g/mol
LogP3.70
Rot. Bonds9

About 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol

2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol (PubChem CID 92574114) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol
PubChem CID92574114
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(C)(C)N[C@@H](Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H32N2O/c1-21(2,16-23-22(3,4)17-25)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20,23-25H,15-17H2,1-4H3/t20-/m0/s1
InChIKeyOBGGOLINWSHCGU-FQEVSTJZSA-N
XLogP3.70
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol with MolForge

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
2-[(2,2-difluoro-2-phenylethyl)amino]-2-methylpropan-1-ol
CID 116788835
1-(1,2-diphenylethyl)-3-methylurea
CID 23548551
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
(2S)-2-phenyl-2-(1-phenylpropan-2-ylamino)ethanol
CID 107862161
methyl N-(1,2-diphenylethyl)carbamate
CID 139785732
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
1,2-diphenylethylurea
CID 2853470

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol (CID 92574114) is 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NCC(C)(C)N[C@@H](Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol?
The InChIKey is OBGGOLINWSHCGU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N2O/c1-21(2,16-23-22(3,4)17-25)24-20(19-13-9-6-10-14-19)15-18-11-7-5-8-12-18/h5-14,20,23-25H,15-17H2,1-4H3/t20-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol?
2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol has a molecular weight of 340.51 g/mol, XLogP of 3.70, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1,2-diphenylethyl]amino]-2-methylpropyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 92574114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).