1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine

C21H21ClN2O2 — CID 91092196

IUPAC1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
SMILESCC(N)c1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2/c1-13(23)15-4-7-19-16(10-15)5-9-21(24-19)26-17-6-8-20(18(22)11-17)25-12-14-2-3-14/h4-11,13-14H,2-3,12,23H2,1H3
InChIKeySFHYWTLUVIRCED-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.49
Rot. Bonds6

About 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine

1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine (PubChem CID 91092196) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
PubChem CID91092196
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
SMILESCC(N)c1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1
InChIInChI=1S/C21H21ClN2O2/c1-13(23)15-4-7-19-16(10-15)5-9-21(24-19)26-17-6-8-20(18(22)11-17)25-12-14-2-3-14/h4-11,13-14H,2-3,12,23H2,1H3
InChIKeySFHYWTLUVIRCED-UHFFFAOYSA-N
XLogP5.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]-N-ethylquinolin-6-amine
CID 68759944
2-[2-[3-chloro-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]acetaldehyde
CID 87565069
1-[2-[2-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanone
CID 68759784
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
1-[3-chloro-4-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929435
1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
CID 91362991
3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
CID 91326144
methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
CID 68762823
1-[2-(3-chloro-4-propoxyphenoxy)quinolin-6-yl]ethanone
CID 68761204
N-[1-[2-[2-bromo-4-(cyclohexylmethoxy)phenoxy]quinolin-6-yl]ethyl]acetamide
CID 68759815

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The IUPAC name of 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine (CID 91092196) is 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine is CC(N)c1ccc2nc(Oc3ccc(OCC4CC4)c(Cl)c3)ccc2c1.
What is the InChIKey of 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
The InChIKey is SFHYWTLUVIRCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c1-13(23)15-4-7-19-16(10-15)5-9-21(24-19)26-17-6-8-20(18(22)11-17)25-12-14-2-3-14/h4-11,13-14H,2-3,12,23H2,1H3.
What are the key properties of 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine?
1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine has a molecular weight of 368.86 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine is sourced from PubChem (CID 91092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).