N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine

C19H20N2 — CID 43691266

IUPACN-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine
SMILESCc1ccc(C(C)Nc2cnc3ccccc3c2)c(C)c1
InChIInChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)15(3)21-17-11-16-6-4-5-7-19(16)20-12-17/h4-12,15,21H,1-3H3
InChIKeyDEKZCIRHSGFIQA-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.02
Rot. Bonds3

About N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine

N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine (PubChem CID 43691266) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine
PubChem CID43691266
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine
SMILESCc1ccc(C(C)Nc2cnc3ccccc3c2)c(C)c1
InChIInChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)15(3)21-17-11-16-6-4-5-7-19(16)20-12-17/h4-12,15,21H,1-3H3
InChIKeyDEKZCIRHSGFIQA-UHFFFAOYSA-N
XLogP5.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)ethyl]quinolin-3-amine
CID 43691256
N-[1-(3-methylthiophen-2-yl)ethyl]quinolin-3-amine
CID 63991660
(2,4-dimethylphenyl)-quinolin-3-ylmethanol
CID 63894313
N-[1-(2,5-dimethylphenyl)ethyl]quinolin-6-amine
CID 62636644
4-chloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43097496
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
N-(1-ethoxypropan-2-yl)quinolin-3-amine
CID 104695232
[(2,4-dimethylphenyl)-quinoxalin-2-ylmethyl]hydrazine
CID 107357864
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 92675059
N-[1-(2,4-dimethylphenyl)ethyl]-4-ethylaniline
CID 43098508
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine (CID 43691266) is N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine is Cc1ccc(C(C)Nc2cnc3ccccc3c2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine?
The InChIKey is DEKZCIRHSGFIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-13-8-9-18(14(2)10-13)15(3)21-17-11-16-6-4-5-7-19(16)20-12-17/h4-12,15,21H,1-3H3.
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine?
N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)ethyl]quinolin-3-amine is sourced from PubChem (CID 43691266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).