3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine

C16H13Cl2N3 — CID 10215103

IUPAC3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
SMILESNCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21)
InChIKeyINWXECLKHABNLA-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.25
Rot. Bonds2

About 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine

3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine (PubChem CID 10215103) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine.

Molecular Properties

Compound Name3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
PubChem CID10215103
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine
SMILESNCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21)
InChIKeyINWXECLKHABNLA-UHFFFAOYSA-N
XLogP4.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-4-phenylquinolin-2-amine
CID 10285988
3-(aminomethyl)-4-(2,4-dichlorophenyl)-7,9-dimethyl-5,6-dihydrobenzo[h]quinolin-2-amine
CID 10287493
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
6-(2,4-dichlorophenyl)-5-(fluoromethyl)pyrimidine-2,4-diamine
CID 22372155
2,6-diamino-5-(2,4-dichlorophenyl)pyrimidine-4-carboxylic acid
CID 19705121
2-(4-amino-2-chlorophenyl)quinazolin-4-amine
CID 89358180
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
3-(aminomethyl)-4-(2,4-dichlorophenyl)-8-ethyl-7-[(Z)-prop-1-enyl]-5H-pyrano[4,3-b]pyridin-2-amine
CID 142273667
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
3-(aminomethyl)-4-(2,4-dichlorophenyl)-5-hydroxy-2-methyl-6H-1,6-naphthyridin-7-one
CID 136503853
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
CID 63377411

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The IUPAC name of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine (CID 10215103) is 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine.
What is the SMILES notation for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The canonical SMILES for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine is NCc1c(N)nc2ccccc2c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
The InChIKey is INWXECLKHABNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c17-9-5-6-10(13(18)7-9)15-11-3-1-2-4-14(11)21-16(20)12(15)8-19/h1-7H,8,19H2,(H2,20,21).
What are the key properties of 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine?
3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine has a molecular weight of 318.21 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(2,4-dichlorophenyl)quinolin-2-amine is sourced from PubChem (CID 10215103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).