3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol

C15H26N2O — CID 81414604

IUPAC3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC)c1ccc(NCC(C)(C)CO)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)14-9-7-13(8-10-14)16-11-15(3,4)12-18/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyIXOIRMUZQGLHKU-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.96
Rot. Bonds7

About 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol

3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol (PubChem CID 81414604) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol
PubChem CID81414604
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol
SMILESCCN(CC)c1ccc(NCC(C)(C)CO)cc1
InChIInChI=1S/C15H26N2O/c1-5-17(6-2)14-9-7-13(8-10-14)16-11-15(3,4)12-18/h7-10,16,18H,5-6,11-12H2,1-4H3
InChIKeyIXOIRMUZQGLHKU-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,2-dimethylpropyl)-4-N,4-N-diethylbenzene-1,4-diamine
CID 54796313
4-N,4-N-diethyl-1-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 115513702
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
N-ethyl-4-[tris[4-(diethylamino)phenyl]methyl]aniline
CID 59357333
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
2-[4-(diethylamino)anilino]acetonitrile
CID 63180222
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
4-N,4-N-dipropyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 83962209
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
3-[4-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414271
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol (CID 81414604) is 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol is CCN(CC)c1ccc(NCC(C)(C)CO)cc1.
What is the InChIKey of 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol?
The InChIKey is IXOIRMUZQGLHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-17(6-2)14-9-7-13(8-10-14)16-11-15(3,4)12-18/h7-10,16,18H,5-6,11-12H2,1-4H3.
What are the key properties of 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol?
3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)anilino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 81414604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).