2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol

C17H30N2O — CID 63193901

IUPAC2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
SMILESCNC(c1ccccc1)C(C)(C)CN(CCO)C(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)19(11-12-20)13-17(3,4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18,20H,11-13H2,1-5H3
InChIKeyRJEWFUVSVVFKSW-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.68
Rot. Bonds8

About 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol

2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol (PubChem CID 63193901) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
PubChem CID63193901
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
SMILESCNC(c1ccccc1)C(C)(C)CN(CCO)C(C)C
InChIInChI=1S/C17H30N2O/c1-14(2)19(11-12-20)13-17(3,4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18,20H,11-13H2,1-5H3
InChIKeyRJEWFUVSVVFKSW-UHFFFAOYSA-N
XLogP2.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-methylamino]pentan-1-ol
CID 107204531
N'-[3-(dimethylamino)propyl]-N,N',2,2-tetramethyl-1-phenylpropane-1,3-diamine
CID 63699668
N'-ethyl-N,2,2-trimethyl-1-phenyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 63195807
2-N,2-N-diethyl-1-N,2-dimethyl-1-phenylpropane-1,2-diamine
CID 79056403
N'-cyclopentyl-N'-ethyl-N,2,2-trimethyl-1-phenylpropane-1,3-diamine
CID 63195623
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 63194009
2-[methyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 55098990
1-N,2-N,2-N,2-tetramethyl-1-phenylpropane-1,2-diamine
CID 79053709
2-[benzhydryl(ethyl)amino]ethanol
CID 131843300
3-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethyl-N-phenylpropanamide
CID 62016764
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 63193468

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol?
The IUPAC name of 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol (CID 63193901) is 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol is CNC(c1ccccc1)C(C)(C)CN(CCO)C(C)C.
What is the InChIKey of 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol?
The InChIKey is RJEWFUVSVVFKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(2)19(11-12-20)13-17(3,4)16(18-5)15-9-7-6-8-10-15/h6-10,14,16,18,20H,11-13H2,1-5H3.
What are the key properties of 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol?
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol has a molecular weight of 278.44 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol is sourced from PubChem (CID 63193901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).