1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol

C17H30N2O — CID 63193468

IUPAC1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
SMILESCCNC(c1ccccc1)C(C)(C)CN(C)CC(C)O
InChIInChI=1S/C17H30N2O/c1-6-18-16(15-10-8-7-9-11-15)17(3,4)13-19(5)12-14(2)20/h7-11,14,16,18,20H,6,12-13H2,1-5H3
InChIKeyMWJQJYLSQAOKPY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.68
Rot. Bonds8

About 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol

1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol (PubChem CID 63193468) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
PubChem CID63193468
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol
SMILESCCNC(c1ccccc1)C(C)(C)CN(C)CC(C)O
InChIInChI=1S/C17H30N2O/c1-6-18-16(15-10-8-7-9-11-15)17(3,4)13-19(5)12-14(2)20/h7-11,14,16,18,20H,6,12-13H2,1-5H3
InChIKeyMWJQJYLSQAOKPY-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

3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193478
1-[[3-(ethylamino)-2-methyl-3-phenylpropyl]-methylamino]propan-2-ol
CID 62618624
1-N-ethyl-2-N,2-N,2-trimethyl-1-phenylbutane-1,2-diamine
CID 79063158
N'-(2,2-dimethylpropyl)-N-ethyl-N',2-dimethyl-1-phenylpropane-1,3-diamine
CID 62617594
2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
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
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
1-N-ethyl-2-N,3-dimethyl-2-N-(2-methylbutan-2-yl)-1-phenylbutane-1,2-diamine
CID 63983572
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 64769741
2-[[2,2-dimethyl-3-(methylamino)-3-phenylpropyl]-propan-2-ylamino]ethanol
CID 63193901

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol?
The IUPAC name of 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol (CID 63193468) is 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol.
What is the SMILES notation for 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol?
The canonical SMILES for 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol is CCNC(c1ccccc1)C(C)(C)CN(C)CC(C)O.
What is the InChIKey of 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol?
The InChIKey is MWJQJYLSQAOKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-6-18-16(15-10-8-7-9-11-15)17(3,4)13-19(5)12-14(2)20/h7-11,14,16,18,20H,6,12-13H2,1-5H3.
What are the key properties of 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol?
1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol 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 1-[[3-(ethylamino)-2,2-dimethyl-3-phenylpropyl]-methylamino]propan-2-ol is sourced from PubChem (CID 63193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).