6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine

C13H18ClNO2 — CID 114709077

IUPAC6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCOCCC1(C)CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H18ClNO2/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyIHEVOFWJXISHNL-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.92
Rot. Bonds3

About 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine

6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 114709077) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID114709077
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
SMILESCOCCC1(C)CC(N)c2cc(Cl)ccc2O1
InChIInChI=1S/C13H18ClNO2/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyIHEVOFWJXISHNL-UHFFFAOYSA-N
XLogP2.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887
6-methoxy-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 114715309
(4S)-6-fluoro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104948064
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
(4S)-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-ol
CID 104949814
6-chloro-2'-ethyl-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709105
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
CID 104945315
(4S)-6-chloro-1',1',5'-trimethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 104945288
6-chloro-4'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708951
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine (CID 114709077) is 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine is COCCC1(C)CC(N)c2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is IHEVOFWJXISHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(5-6-16-2)8-11(15)10-7-9(14)3-4-12(10)17-13/h3-4,7,11H,5-6,8,15H2,1-2H3.
What are the key properties of 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine?
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 255.74 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114709077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).