7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

C19H21N3O — CID 91971382

IUPAC7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
InChIKeyIHPWSPZSFKTYCX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.16
Rot. Bonds6

About 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 91971382) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
PubChem CID91971382
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
InChIKeyIHPWSPZSFKTYCX-UHFFFAOYSA-N
XLogP3.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine (CID 91971382) is 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine is CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is IHPWSPZSFKTYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22).
What are the key properties of 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 91971382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).