8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

C18H19N3O — CID 170993950

IUPAC8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3cccc(CN)c3n2)cc1
InChIInChI=1S/C18H19N3O/c1-22-16-8-5-13(6-9-16)12-20-17-10-7-14-3-2-4-15(11-19)18(14)21-17/h2-10H,11-12,19H2,1H3,(H,20,21)
InChIKeyRVSGIMBWZNPTAF-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.31
Rot. Bonds5

About 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine

8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (PubChem CID 170993950) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
PubChem CID170993950
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccc(CNc2ccc3cccc(CN)c3n2)cc1
InChIInChI=1S/C18H19N3O/c1-22-16-8-5-13(6-9-16)12-20-17-10-7-14-3-2-4-15(11-19)18(14)21-17/h2-10H,11-12,19H2,1H3,(H,20,21)
InChIKeyRVSGIMBWZNPTAF-UHFFFAOYSA-N
XLogP3.31
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]quinoline-2,6-diamine
CID 43450854
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
8-bromo-N-[(6-methoxy-3-pyridinyl)methyl]quinolin-2-amine
CID 133370213
5-iodo-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine;(4-methoxyphenyl)methanamine
CID 138683371
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
2-(8-aminoquinolin-2-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110451276
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 18520488
8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
CID 133370284
3-[(4-methoxyphenyl)methylamino]-1H-pyridazine-6-thione
CID 106523217
5-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 61311584
2-(2-fluorophenyl)-N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]acetamide
CID 113041787

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine (CID 170993950) is 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is COc1ccc(CNc2ccc3cccc(CN)c3n2)cc1.
What is the InChIKey of 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
The InChIKey is RVSGIMBWZNPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-16-8-5-13(6-9-16)12-20-17-10-7-14-3-2-4-15(11-19)18(14)21-17/h2-10H,11-12,19H2,1H3,(H,20,21).
What are the key properties of 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine?
8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-[(4-methoxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 170993950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).