4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline

C22H32N2 — CID 83973083

IUPAC4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H32N2/c1-5-24(6-2)22-13-7-18(8-14-22)15-21(16-23)20-11-9-19(10-12-20)17(3)4/h7-14,17,21H,5-6,15-16,23H2,1-4H3
InChIKeyAWVRSBUYESGVLZ-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.94
Rot. Bonds8

About 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline

4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline (PubChem CID 83973083) has the molecular formula C22H32N2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
PubChem CID83973083
Molecular FormulaC22H32N2
Molecular Weight324.51 g/mol
Exact Mass324.26
IUPAC Name4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H32N2/c1-5-24(6-2)22-13-7-18(8-14-22)15-21(16-23)20-11-9-19(10-12-20)17(3)4/h7-14,17,21H,5-6,15-16,23H2,1-4H3
InChIKeyAWVRSBUYESGVLZ-UHFFFAOYSA-N
XLogP4.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline
CID 82160421
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
2,3-dimethyl-4-(4-propan-2-ylphenyl)butan-1-amine
CID 81014991
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
CID 83976530
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
(2R)-1-[4-(diethylamino)phenyl]butan-2-ol
CID 94776154

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline?
The IUPAC name of 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline (CID 83973083) is 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline?
The canonical SMILES for 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline is CCN(CC)c1ccc(CC(CN)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline?
The InChIKey is AWVRSBUYESGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2/c1-5-24(6-2)22-13-7-18(8-14-22)15-21(16-23)20-11-9-19(10-12-20)17(3)4/h7-14,17,21H,5-6,15-16,23H2,1-4H3.
What are the key properties of 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline?
4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline has a molecular weight of 324.51 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(4-propan-2-ylphenyl)propyl]-N,N-diethylaniline is sourced from PubChem (CID 83973083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).