3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline

C16H19ClN2 — CID 82541933

IUPAC3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
SMILESCC(N)c1ccc(Cl)c(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19ClN2/c1-11(18)12-7-8-16(17)15(10-12)13-5-4-6-14(9-13)19(2)3/h4-11H,18H2,1-3H3
InChIKeyRPLVJFMLTHLBDK-UHFFFAOYSA-N
MW274.80 g/mol
LogP4.09
Rot. Bonds3

About 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline

3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline (PubChem CID 82541933) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
PubChem CID82541933
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline
SMILESCC(N)c1ccc(Cl)c(-c2cccc(N(C)C)c2)c1
InChIInChI=1S/C16H19ClN2/c1-11(18)12-7-8-16(17)15(10-12)13-5-4-6-14(9-13)19(2)3/h4-11H,18H2,1-3H3
InChIKeyRPLVJFMLTHLBDK-UHFFFAOYSA-N
XLogP4.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(1-aminoethyl)-2-chlorophenyl]phenol
CID 115046198
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
1-[4-chloro-3-(2-chlorophenyl)phenyl]ethanamine
CID 82541998
1-[4-chloro-3-[4-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541566
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
1-[3-(4-tert-butylphenyl)-4-chlorophenyl]ethanamine
CID 82541614
1-[3-(2-chloro-4,5-dimethylphenyl)phenyl]ethanamine
CID 113319516
1-[4-chloro-3-[2-[(dimethylamino)methyl]phenyl]phenyl]ethanamine
CID 82541598
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline?
The IUPAC name of 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline (CID 82541933) is 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline is CC(N)c1ccc(Cl)c(-c2cccc(N(C)C)c2)c1.
What is the InChIKey of 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline?
The InChIKey is RPLVJFMLTHLBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-11(18)12-7-8-16(17)15(10-12)13-5-4-6-14(9-13)19(2)3/h4-11H,18H2,1-3H3.
What are the key properties of 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline?
3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline has a molecular weight of 274.80 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-aminoethyl)-2-chlorophenyl]-N,N-dimethylaniline is sourced from PubChem (CID 82541933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).