7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine

C19H21N3O — CID 146025971

IUPAC7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
SMILESCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN
InChIInChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
InChIKeyAGWWSGQCTLAMKS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.65
Rot. Bonds4

About 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine

7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine (PubChem CID 146025971) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
PubChem CID146025971
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
SMILESCCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN
InChIInChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22)
InChIKeyAGWWSGQCTLAMKS-UHFFFAOYSA-N
XLogP3.65
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine (CID 146025971) is 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine is CCOc1ccc(-c2ccc3c(C)cc(N)nc3c2)cc1CN.
What is the InChIKey of 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine?
The InChIKey is AGWWSGQCTLAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22).
What are the key properties of 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 146025971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).