1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine

C23H26N2O2 — CID 91362991

IUPAC1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
SMILESCc1cc(OC2CCCC2)ccc1Oc1ccc2cc(C(C)N)ccc2n1
InChIInChI=1S/C23H26N2O2/c1-15-13-20(26-19-5-3-4-6-19)9-11-22(15)27-23-12-8-18-14-17(16(2)24)7-10-21(18)25-23/h7-14,16,19H,3-6,24H2,1-2H3
InChIKeyFEDGHQXNRMIPHD-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.68
Rot. Bonds5

About 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine

1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine (PubChem CID 91362991) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
PubChem CID91362991
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine
SMILESCc1cc(OC2CCCC2)ccc1Oc1ccc2cc(C(C)N)ccc2n1
InChIInChI=1S/C23H26N2O2/c1-15-13-20(26-19-5-3-4-6-19)9-11-22(15)27-23-12-8-18-14-17(16(2)24)7-10-21(18)25-23/h7-14,16,19H,3-6,24H2,1-2H3
InChIKeyFEDGHQXNRMIPHD-UHFFFAOYSA-N
XLogP5.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-chloro-4-(cyclopropylmethoxy)phenoxy]quinolin-6-yl]ethanamine
CID 91092196
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzonitrile
CID 68759568
N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]propanamide
CID 70833755
methyl N-[1-[2-[4-(cyclopropylmethoxy)-2-methylphenoxy]quinolin-6-yl]ethyl]carbamate
CID 70834063
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
4-[6-(1-aminoethyl)quinolin-2-yl]oxybenzoic acid
CID 68762823
3-[4-[6-(1-aminoethyl)quinolin-2-yl]oxyphenyl]propan-1-amine
CID 91326144
N-[1-[2-(3-methyl-4-pyridin-2-yloxyphenoxy)quinolin-6-yl]ethyl]acetamide
CID 68758504
5-(4-cyclopentyloxy-2-methylphenoxy)-2-methylbenzamide
CID 177024658
(1R)-1-(4-cyclopentyloxy-3-methoxyphenyl)ethanamine
CID 30119294
(1S)-1-(3-chloro-4-cyclopentyloxyphenyl)ethanamine
CID 78937707
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine?
The IUPAC name of 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine (CID 91362991) is 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine is Cc1cc(OC2CCCC2)ccc1Oc1ccc2cc(C(C)N)ccc2n1.
What is the InChIKey of 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine?
The InChIKey is FEDGHQXNRMIPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15-13-20(26-19-5-3-4-6-19)9-11-22(15)27-23-12-8-18-14-17(16(2)24)7-10-21(18)25-23/h7-14,16,19H,3-6,24H2,1-2H3.
What are the key properties of 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine?
1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine has a molecular weight of 362.47 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopentyloxy-2-methylphenoxy)quinolin-6-yl]ethanamine is sourced from PubChem (CID 91362991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).