2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine

C20H26N4 — CID 144770433

IUPAC2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine
SMILESCCN(CC)c1ccc(C2=NC3CC=CC=C3C(N(C)C)=N2)cc1
InChIInChI=1S/C20H26N4/c1-5-24(6-2)16-13-11-15(12-14-16)19-21-18-10-8-7-9-17(18)20(22-19)23(3)4/h7-9,11-14,18H,5-6,10H2,1-4H3
InChIKeyAEXHODVHLDFKBA-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.51
Rot. Bonds4

About 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine

2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine (PubChem CID 144770433) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine
PubChem CID144770433
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine
SMILESCCN(CC)c1ccc(C2=NC3CC=CC=C3C(N(C)C)=N2)cc1
InChIInChI=1S/C20H26N4/c1-5-24(6-2)16-13-11-15(12-14-16)19-21-18-10-8-7-9-17(18)20(22-19)23(3)4/h7-9,11-14,18H,5-6,10H2,1-4H3
InChIKeyAEXHODVHLDFKBA-UHFFFAOYSA-N
XLogP3.51
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
4-tert-butyl-N,N-diethylaniline
CID 10632068
2,6-bis[4-(diethylamino)phenyl]cyclohexane-1,4-dione
CID 22239265
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline
CID 23047077
N,N-diethyl-4-(1,3,4-oxadiazol-2-yl)aniline
CID 22345896
(4R)-3-[4-(diethylamino)phenyl]-4-methyl-1,4,5,6-tetrahydropyridazin-6-ol
CID 134250174
4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N,N-diethylaniline
CID 54847456
2-N,2-N-diethyl-8-N,8-N-dimethylphenazine-2,8-diamine
CID 46832728
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine?
The IUPAC name of 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine (CID 144770433) is 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine.
What is the SMILES notation for 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine?
The canonical SMILES for 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine is CCN(CC)c1ccc(C2=NC3CC=CC=C3C(N(C)C)=N2)cc1.
What is the InChIKey of 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine?
The InChIKey is AEXHODVHLDFKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-5-24(6-2)16-13-11-15(12-14-16)19-21-18-10-8-7-9-17(18)20(22-19)23(3)4/h7-9,11-14,18H,5-6,10H2,1-4H3.
What are the key properties of 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine?
2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine has a molecular weight of 322.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)phenyl]-N,N-dimethyl-8,8a-dihydroquinazolin-4-amine is sourced from PubChem (CID 144770433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).