1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol

C15H26N2O — CID 113317416

IUPAC1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol
SMILESCCN(CC(O)CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-5-17(13-9-7-6-8-10-13)12-14(18)11-16-15(2,3)4/h6-10,14,16,18H,5,11-12H2,1-4H3
InChIKeyLTRIRBDZZFMDLS-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.26
Rot. Bonds6

About 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol

1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol (PubChem CID 113317416) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol
PubChem CID113317416
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol
SMILESCCN(CC(O)CNC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H26N2O/c1-5-17(13-9-7-6-8-10-13)12-14(18)11-16-15(2,3)4/h6-10,14,16,18H,5,11-12H2,1-4H3
InChIKeyLTRIRBDZZFMDLS-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-ethyl-2-methyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 62437274
1-N-tert-butyl-2-N-ethyl-2-N-phenylbutane-1,2-diamine
CID 62424673
sodium 3-(N-ethylanilino)-2-hydroxypropane-1-sulfonate
CID 24802127
N,N-diethylaniline
CID 7061
1-(tert-butylamino)-3-[1-(2-chlorophenyl)ethyl-methylamino]propan-2-ol
CID 115475273
2-amino-3-(N-ethylanilino)propan-1-ol
CID 64796105
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
N'-tert-butyl-N-ethyl-N-(2-methylbutyl)-1-phenylethane-1,2-diamine
CID 79480923
2-[(N-ethylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367670
boric acid;dodecakis(N,N-diethylaniline)
CID 172757601
1-(N-butylanilino)-3-(cyclopropylamino)propan-2-ol
CID 64585186
N,N-diethylaniline;hydrazine
CID 161037544

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol (CID 113317416) is 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol is CCN(CC(O)CNC(C)(C)C)c1ccccc1.
What is the InChIKey of 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol?
The InChIKey is LTRIRBDZZFMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(13-9-7-6-8-10-13)12-14(18)11-16-15(2,3)4/h6-10,14,16,18H,5,11-12H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol?
1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol has a molecular weight of 250.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(N-ethylanilino)propan-2-ol is sourced from PubChem (CID 113317416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).