1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol

C17H30N2O — CID 103904363

IUPAC1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
SMILESCC(C)c1ccc(C(C)NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)15-7-9-16(10-8-15)14(3)18-11-17(4,20)12-19(5)6/h7-10,13-14,18,20H,11-12H2,1-6H3
InChIKeyDFSIJBUNJJERER-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.77
Rot. Bonds7

About 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol

1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol (PubChem CID 103904363) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
PubChem CID103904363
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
SMILESCC(C)c1ccc(C(C)NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C17H30N2O/c1-13(2)15-7-9-16(10-8-15)14(3)18-11-17(4,20)12-19(5)6/h7-10,13-14,18,20H,11-12H2,1-6H3
InChIKeyDFSIJBUNJJERER-UHFFFAOYSA-N
XLogP2.77
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]ethyl]phenoxy]acetonitrile
CID 103922030
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904335
1-(dimethylamino)-2-methyl-3-(1-pyridin-2-ylethylamino)propan-2-ol
CID 103904295
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192150
1-(dimethylamino)-2-methyl-3-[1-(1,3-thiazol-4-yl)ethylamino]propan-2-ol
CID 115895822
4-[2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]propyl]phenol
CID 106145228
N,N,2,2-tetramethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 43093654
1-(1-aminopropan-2-ylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145662
1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103911427
1-[1-(4-tert-butylphenyl)ethylamino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103717064

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol (CID 103904363) is 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol is CC(C)c1ccc(C(C)NCC(C)(O)CN(C)C)cc1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
The InChIKey is DFSIJBUNJJERER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)15-7-9-16(10-8-15)14(3)18-11-17(4,20)12-19(5)6/h7-10,13-14,18,20H,11-12H2,1-6H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol has a molecular weight of 278.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 103904363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).