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

C19H25ClN2 — CID 82160421

IUPAC4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,3-4,13-14,21H2,1-2H3
InChIKeyIRYQIIVBVAWUER-UHFFFAOYSA-N
MW316.88 g/mol
LogP4.47
Rot. Bonds7

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

4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline (PubChem CID 82160421) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline
PubChem CID82160421
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H25ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,3-4,13-14,21H2,1-2H3
InChIKeyIRYQIIVBVAWUER-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 54.47
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-propan-2-ylphenyl)propyl]-N,N-diethylaniline
CID 83973083
4-[1-amino-3-(4-fluorophenyl)propan-2-yl]-N,N-dimethylaniline
CID 82139525
4-[3-(4-chlorophenyl)-2-piperazin-1-ylpropyl]-N,N-diethylaniline;dihydrochloride
CID 21448537
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
3-(4-chlorophenyl)-2-(3-ethyl-4-methoxyphenyl)propan-1-amine
CID 82139388
4-[(4-chloroanilino)-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 20537704
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
2-[(4-chlorophenyl)methyl]-3-(4-propan-2-ylphenyl)propan-1-amine
CID 63497236
2-(4-chlorophenyl)butane-1,4-diamine
CID 82076304
(2S)-1-[4-(diethylamino)phenyl]propan-2-ol
CID 94776344

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline?
The IUPAC name of 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline (CID 82160421) is 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline?
The canonical SMILES for 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline is CCN(CC)c1ccc(CC(CN)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline?
The InChIKey is IRYQIIVBVAWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-3-22(4-2)19-11-5-15(6-12-19)13-17(14-21)16-7-9-18(20)10-8-16/h5-12,17H,3-4,13-14,21H2,1-2H3.
What are the key properties of 4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline?
4-[3-amino-2-(4-chlorophenyl)propyl]-N,N-diethylaniline has a molecular weight of 316.88 g/mol, XLogP of 4.47, 7 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-chlorophenyl)propyl]-N,N-diethylaniline is sourced from PubChem (CID 82160421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).