N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine

C19H20N2 — CID 60923858

IUPACN-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C19H20N2/c1-3-20-19(15-10-8-14(2)9-11-15)17-12-16-6-4-5-7-18(16)21-13-17/h4-13,19-20H,3H2,1-2H3
InChIKeyPMBRPVFYFOMOOJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.24
Rot. Bonds4

About N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine

N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine (PubChem CID 60923858) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
PubChem CID60923858
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC NameN-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cnc2ccccc2c1
InChIInChI=1S/C19H20N2/c1-3-20-19(15-10-8-14(2)9-11-15)17-12-16-6-4-5-7-18(16)21-13-17/h4-13,19-20H,3H2,1-2H3
InChIKeyPMBRPVFYFOMOOJ-UHFFFAOYSA-N
XLogP4.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylpyrimidin-4-yl)-quinolin-3-ylmethyl]ethanamine
CID 115530915
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
N-[(6-methyl-3-pyridinyl)-naphthalen-2-ylmethyl]ethanamine
CID 63155569
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
N-ethyl-3-methyl-1-quinolin-3-ylpentan-1-amine
CID 115798075
N-ethyl-2-ethylsulfanyl-1-quinolin-3-ylethanamine
CID 65127903
3-ethoxy-N-ethyl-1-quinolin-3-ylpropan-1-amine
CID 105097975
1-(4-bromophenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 60923508
1-(2,5-dimethylphenyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 115798284
N-ethyl-3,4,4-trimethyl-1-quinolin-3-ylpentan-1-amine
CID 115797681

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine (CID 60923858) is N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine is CCNC(c1ccc(C)cc1)c1cnc2ccccc2c1.
What is the InChIKey of N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine?
The InChIKey is PMBRPVFYFOMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-3-20-19(15-10-8-14(2)9-11-15)17-12-16-6-4-5-7-18(16)21-13-17/h4-13,19-20H,3H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine?
N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine has a molecular weight of 276.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)-quinolin-3-ylmethyl]ethanamine is sourced from PubChem (CID 60923858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).