N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline

C16H18ClN — CID 121403567

IUPACN-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-12-4-10-16(11-5-12)18(3)13(2)14-6-8-15(17)9-7-14/h4-11,13H,1-3H3
InChIKeyAYJPGFNLNHOZRS-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.85
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline

N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline (PubChem CID 121403567) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
PubChem CID121403567
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C(C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN/c1-12-4-10-16(11-5-12)18(3)13(2)14-6-8-15(17)9-7-14/h4-11,13H,1-3H3
InChIKeyAYJPGFNLNHOZRS-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[4-[1-(4-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 78941055
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylaniline
CID 62979024
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzaldehyde
CID 63535809
4-[1-(4-chlorophenyl)ethyl-methylamino]-2-methylbenzenecarbothioamide
CID 81269942
N'-[1-(4-chlorophenyl)ethyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313080
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
CID 102824202
4-(aminomethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylaniline
CID 115366851
N-(4-chlorophenyl)-N-methyl-4-(4-methylphenyl)aniline
CID 23597856
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
3-N-[1-(4-chlorophenyl)ethyl]-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 55140660
3-[1-(N,4-dimethylanilino)ethyl]phenol
CID 82978141
3-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyrazin-2-amine
CID 126561646

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline (CID 121403567) is N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline is Cc1ccc(N(C)C(C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline?
The InChIKey is AYJPGFNLNHOZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-4-10-16(11-5-12)18(3)13(2)14-6-8-15(17)9-7-14/h4-11,13H,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline?
N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline has a molecular weight of 259.78 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N,4-dimethylaniline is sourced from PubChem (CID 121403567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).