3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine

C20H23N3O — CID 91326144

IUPAC3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
SMILESCC(N)c1ccc2nc(Oc3ccc(CCCN)cc3)ccc2c1
InChIInChI=1S/C20H23N3O/c1-14(22)16-6-10-19-17(13-16)7-11-20(23-19)24-18-8-4-15(5-9-18)3-2-12-21/h4-11,13-14H,2-3,12,21-22H2,1H3
InChIKeyOKVPXZGPELKWHK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.94
Rot. Bonds6

About 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine

3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine (PubChem CID 91326144) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
PubChem CID91326144
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
SMILESCC(N)c1ccc2nc(Oc3ccc(CCCN)cc3)ccc2c1
InChIInChI=1S/C20H23N3O/c1-14(22)16-6-10-19-17(13-16)7-11-20(23-19)24-18-8-4-15(5-9-18)3-2-12-21/h4-11,13-14H,2-3,12,21-22H2,1H3
InChIKeyOKVPXZGPELKWHK-UHFFFAOYSA-N
XLogP3.94
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
CID 68762823
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
2-amino-N-[1-[2-(4-propan-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide;hydrochloride
CID 68761041
1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
CID 91362991
2-[2-[4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 68758014
2-[2-(2-chloro-4-propan-2-yloxyphenoxy)quinolin-6-yl]ethanamine
CID 68759971
2-[4-[[4-(1-aminoethyl)-2-pyridinyl]oxy]phenyl]ethanol
CID 107709110
[6-(4-propan-2-ylphenoxy)-2-pyridinyl]methanamine
CID 62295869
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
methyl 2-amino-3-(2-phenoxyquinolin-6-yl)propanoate
CID 24755552
2-[4-[(6-methoxy-2-pyridinyl)oxy]phenyl]ethanamine
CID 63590271

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine?
The IUPAC name of 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine (CID 91326144) is 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine.
What is the SMILES notation for 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine?
The canonical SMILES for 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine is CC(N)c1ccc2nc(Oc3ccc(CCCN)cc3)ccc2c1.
What is the InChIKey of 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine?
The InChIKey is OKVPXZGPELKWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14(22)16-6-10-19-17(13-16)7-11-20(23-19)24-18-8-4-15(5-9-18)3-2-12-21/h4-11,13-14H,2-3,12,21-22H2,1H3.
What are the key properties of 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine?
3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine has a molecular weight of 321.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine is sourced from PubChem (CID 91326144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).