4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline

C22H32N2 — CID 86063425

IUPAC4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C22H32N2/c1-6-23(7-2)21-13-10-19(11-14-21)17-20-12-15-22(16-18(20)5)24(8-3)9-4/h10-16H,6-9,17H2,1-5H3
InChIKeyWICHACCQJAMAMT-UHFFFAOYSA-N
MW324.51 g/mol
LogP5.28
Rot. Bonds8

About 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline

4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline (PubChem CID 86063425) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
PubChem CID86063425
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2C)cc1
InChIInChI=1S/C22H32N2/c1-6-23(7-2)21-13-10-19(11-14-21)17-20-12-15-22(16-18(20)5)24(8-3)9-4/h10-16H,6-9,17H2,1-5H3
InChIKeyWICHACCQJAMAMT-UHFFFAOYSA-N
XLogP5.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.51
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(chloromethyl)-N-ethyl-3-methyl-N-propylaniline
CID 62129296
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-bis[4-(diethylamino)-2-methylphenyl]arsanyl-N,N-diethyl-3-methylaniline
CID 91746010
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
CID 70389248
N-ethyl-3-methyl-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 62136400
2-amino-3-[4-(diethylamino)-2-methylphenyl]propanoic acid
CID 170880204
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
CID 62135558
4-(chloromethyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 63540964
1-N,1-N-diethyl-3-N,4-dimethylbenzene-1,3-diamine
CID 142930893

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline (CID 86063425) is 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(Cc2ccc(N(CC)CC)cc2C)cc1.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
The InChIKey is WICHACCQJAMAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-6-23(7-2)21-13-10-19(11-14-21)17-20-12-15-22(16-18(20)5)24(8-3)9-4/h10-16H,6-9,17H2,1-5H3.
What are the key properties of 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline?
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline has a molecular weight of 324.51 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 86063425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).