6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

C16H22ClNO2 — CID 114711261

IUPAC6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCC1CC2(CCO1)CC(NC)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-3-12-9-16(6-7-19-12)10-14(18-2)13-8-11(17)4-5-15(13)20-16/h4-5,8,12,14,18H,3,6-7,9-10H2,1-2H3
InChIKeyXVXWFAPEEAICJP-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine

6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (PubChem CID 114711261) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.

Molecular Properties

Compound Name6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
PubChem CID114711261
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
SMILESCCC1CC2(CCO1)CC(NC)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H22ClNO2/c1-3-12-9-16(6-7-19-12)10-14(18-2)13-8-11(17)4-5-15(13)20-16/h4-5,8,12,14,18H,3,6-7,9-10H2,1-2H3
InChIKeyXVXWFAPEEAICJP-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
N,6-dimethyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712585
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
6-fluoro-N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710536
6-chloro-1'-cyclopropyl-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114711171
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
N-methyl-2'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712062
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
6-bromo-N-methyl-4'-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713221
N-ethyl-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114712323
6-chloro-3'-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114709018

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The IUPAC name of 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine (CID 114711261) is 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine.
What is the SMILES notation for 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The canonical SMILES for 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is CCC1CC2(CCO1)CC(NC)c1cc(Cl)ccc1O2.
What is the InChIKey of 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
The InChIKey is XVXWFAPEEAICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-12-9-16(6-7-19-12)10-14(18-2)13-8-11(17)4-5-15(13)20-16/h4-5,8,12,14,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine?
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine has a molecular weight of 295.81 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine is sourced from PubChem (CID 114711261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).