2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine

C16H17N3O — CID 63374307

IUPAC2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
SMILESCN(Cc1ccco1)c1cc(CN)nc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19(11-13-5-4-8-20-13)16-9-12(10-17)18-15-7-3-2-6-14(15)16/h2-9H,10-11,17H2,1H3
InChIKeyWEIDQBRSWOAVBI-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.92
Rot. Bonds4

About 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine

2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine (PubChem CID 63374307) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
PubChem CID63374307
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine
SMILESCN(Cc1ccco1)c1cc(CN)nc2ccccc12
InChIInChI=1S/C16H17N3O/c1-19(11-13-5-4-8-20-13)16-9-12(10-17)18-15-7-3-2-6-14(15)16/h2-9H,10-11,17H2,1H3
InChIKeyWEIDQBRSWOAVBI-UHFFFAOYSA-N
XLogP2.92
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylisoquinolin-1-amine
CID 62299114
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylquinolin-4-amine
CID 63377121
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
N-[(2-aminophenyl)methyl]-N,2-dimethylquinolin-4-amine
CID 60871553
2-(aminomethyl)-N-methyl-N-(2-methylphenyl)quinolin-4-amine
CID 63377115
3-(aminomethyl)-N-(furan-2-ylmethyl)-N,4,6-trimethylpyridin-2-amine
CID 61176681
[4-[furan-3-ylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63376321
6-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridazin-3-amine
CID 62301068
2-(aminomethyl)-N,N-dibutylquinolin-4-amine
CID 63374040
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylquinazolin-4-amine
CID 3235248
2-[furan-2-ylmethyl(methyl)amino]quinoline-3-carbaldehyde
CID 43527026
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 63373861

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine?
The IUPAC name of 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine (CID 63374307) is 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine?
The canonical SMILES for 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine is CN(Cc1ccco1)c1cc(CN)nc2ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine?
The InChIKey is WEIDQBRSWOAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-19(11-13-5-4-8-20-13)16-9-12(10-17)18-15-7-3-2-6-14(15)16/h2-9H,10-11,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine?
2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine has a molecular weight of 267.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylquinolin-4-amine is sourced from PubChem (CID 63374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).