4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline

C25H38N2 — CID 91741933

IUPAC4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)C(C)(C)C)cc1
InChIInChI=1S/C25H38N2/c1-8-26(9-2)22-16-12-20(13-17-22)24(25(5,6)7)21-14-18-23(19-15-21)27(10-3)11-4/h12-19,24H,8-11H2,1-7H3
InChIKeyIGKOPJWNURSOFG-UHFFFAOYSA-N
MW366.59 g/mol
LogP6.56
Rot. Bonds8

About 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline

4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline (PubChem CID 91741933) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
PubChem CID91741933
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)C(C)(C)C)cc1
InChIInChI=1S/C25H38N2/c1-8-26(9-2)22-16-12-20(13-17-22)24(25(5,6)7)21-14-18-23(19-15-21)27(10-3)11-4/h12-19,24H,8-11H2,1-7H3
InChIKeyIGKOPJWNURSOFG-UHFFFAOYSA-N
XLogP6.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-tert-butyl-N,N-diethylaniline
CID 10632068
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
CID 53403073
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-N,N-diethylaniline;hydrochloride
CID 171227547
1-[N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79387539

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline?
The IUPAC name of 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline (CID 91741933) is 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline?
The canonical SMILES for 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)C(C)(C)C)cc1.
What is the InChIKey of 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline?
The InChIKey is IGKOPJWNURSOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2/c1-8-26(9-2)22-16-12-20(13-17-22)24(25(5,6)7)21-14-18-23(19-15-21)27(10-3)11-4/h12-19,24H,8-11H2,1-7H3.
What are the key properties of 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline?
4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline has a molecular weight of 366.59 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline is sourced from PubChem (CID 91741933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).