6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

C16H22ClNO2 — CID 114711490

IUPAC6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClNO2/c1-3-7-18-14-10-16(6-8-19-11(16)2)20-15-5-4-12(17)9-13(14)15/h4-5,9,11,14,18H,3,6-8,10H2,1-2H3
InChIKeySBXBLJAUSKCDFO-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.71
Rot. Bonds3

About 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine

6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 114711490) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound Name6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID114711490
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C16H22ClNO2/c1-3-7-18-14-10-16(6-8-19-11(16)2)20-15-5-4-12(17)9-13(14)15/h4-5,9,11,14,18H,3,6-8,10H2,1-2H3
InChIKeySBXBLJAUSKCDFO-UHFFFAOYSA-N
XLogP3.71
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711474
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114712757
6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
6-chloro-2-methyl-2-(2-methylpropyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711494
6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114711391
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713490
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711261
6-bromo-2'-methylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114710145

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 114711490) is 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CCCNC1CC2(CCOC2C)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is SBXBLJAUSKCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-7-18-14-10-16(6-8-19-11(16)2)20-15-5-4-12(17)9-13(14)15/h4-5,9,11,14,18H,3,6-8,10H2,1-2H3.
What are the key properties of 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine has a molecular weight of 295.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 114711490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).