7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

C19H21N3O — CID 127035374

IUPAC7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-13(21-2)16-4-3-5-17(11-16)23-12-14-6-7-15-8-9-19(20)22-18(15)10-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22)
InChIKeyMPMUOUASVMFOCO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.68
Rot. Bonds5

About 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine

7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine (PubChem CID 127035374) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
PubChem CID127035374
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
SMILESCNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChIInChI=1S/C19H21N3O/c1-13(21-2)16-4-3-5-17(11-16)23-12-14-6-7-15-8-9-19(20)22-18(15)10-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22)
InChIKeyMPMUOUASVMFOCO-UHFFFAOYSA-N
XLogP3.68
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3-bromophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883448
1-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylethanamine
CID 60883450
7-[[3-[2-(dimethylamino)ethoxy]phenoxy]methyl]quinolin-2-amine
CID 127034804
7-[[3-[2-[6-(methylamino)-2-pyridinyl]ethyl]phenoxy]methyl]quinolin-2-amine
CID 170195520
1-[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylethanamine
CID 62125799
7-[[5-(methylaminomethyl)-3-pyridinyl]oxymethyl]quinolin-2-amine;trihydrochloride
CID 127034913
1-[3-[(2,6-difluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 114930058
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
5-chloro-6-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 55127790
N-methyl-1-[3-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 63020641
N-methyl-1-[3-(3-phenoxypropoxy)phenyl]ethanamine
CID 62936434

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The IUPAC name of 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine (CID 127035374) is 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine.
What is the SMILES notation for 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The canonical SMILES for 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine is CNC(C)c1cccc(OCc2ccc3ccc(N)nc3c2)c1.
What is the InChIKey of 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
The InChIKey is MPMUOUASVMFOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(21-2)16-4-3-5-17(11-16)23-12-14-6-7-15-8-9-19(20)22-18(15)10-14/h3-11,13,21H,12H2,1-2H3,(H2,20,22).
What are the key properties of 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine?
7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[1-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine is sourced from PubChem (CID 127035374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).