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

C20H23N3O — CID 146025973

IUPAC7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OC(C)C)c(CN)c3)ccc12
InChIInChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
InChIKeyRMUSFJBGBOTWMV-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.04
Rot. Bonds4

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

7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine (PubChem CID 146025973) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine.

Molecular Properties

Compound Name7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine
PubChem CID146025973
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine
SMILESCc1cc(N)nc2cc(-c3ccc(OC(C)C)c(CN)c3)ccc12
InChIInChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23)
InChIKeyRMUSFJBGBOTWMV-UHFFFAOYSA-N
XLogP4.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.04
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-propan-2-yloxyphenyl]-4-methylquinolin-2-amine?
The IUPAC name of 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine (CID 146025973) is 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine.
What is the SMILES notation for 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine?
The canonical SMILES for 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine is Cc1cc(N)nc2cc(-c3ccc(OC(C)C)c(CN)c3)ccc12.
What is the InChIKey of 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine?
The InChIKey is RMUSFJBGBOTWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23).
What are the key properties of 7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine?
7-[3-(aminomethyl)-4-propan-2-yloxyphenyl]-4-methylquinolin-2-amine has a molecular weight of 321.42 g/mol, XLogP of 4.04, 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-propan-2-yloxyphenyl]-4-methylquinolin-2-amine is sourced from PubChem (CID 146025973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).