2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol

C17H29NO2 — CID 81074892

IUPAC2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
SMILESCC(C)OCCN(C)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)20-12-11-18(5)13-17(3,4)16(19)15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3
InChIKeyUNQZGPSWJAFUDN-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.10
Rot. Bonds8

About 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol

2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol (PubChem CID 81074892) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
PubChem CID81074892
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol
SMILESCC(C)OCCN(C)CC(C)(C)C(O)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-14(2)20-12-11-18(5)13-17(3,4)16(19)15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3
InChIKeyUNQZGPSWJAFUDN-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-[methyl(3-methylbutyl)amino]-1-phenylpropan-1-ol
CID 63194059
3-[2-hydroxypropyl(methyl)amino]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193478
3-(dimethylamino)-2,2-dimethyl-1-phenylpropan-1-ol;hydrochloride
CID 117067676
3-(dipropylamino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193572
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81057064
2,2-dimethyl-3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 63194009
2-hydroxy-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81056783
3-(N,4-dimethylanilino)-2,2-dimethyl-1-phenylpropan-1-ol
CID 63193525
N'-hydroxy-3-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylpropanimidamide
CID 81055319
1-N,2-dimethyl-1-N-(2-propan-2-yloxyethyl)propane-1,2-diamine
CID 81055039
2,2-dimethyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1-phenylpropan-1-ol
CID 63193910

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol (CID 81074892) is 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol is CC(C)OCCN(C)CC(C)(C)C(O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol?
The InChIKey is UNQZGPSWJAFUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)20-12-11-18(5)13-17(3,4)16(19)15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3.
What are the key properties of 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol?
2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl(2-propan-2-yloxyethyl)amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 81074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).