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

C15H20ClNO2 — CID 114711474

IUPAC6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c1-2-6-17-13-9-15(5-7-18-10-15)19-14-4-3-11(16)8-12(13)14/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyDXDGFKWBZNVHNH-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.32
Rot. Bonds3

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

6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (PubChem CID 114711474) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.

Molecular Properties

Compound Name6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
PubChem CID114711474
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
SMILESCCCNC1CC2(CCOC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H20ClNO2/c1-2-6-17-13-9-15(5-7-18-10-15)19-14-4-3-11(16)8-12(13)14/h3-4,8,13,17H,2,5-7,9-10H2,1H3
InChIKeyDXDGFKWBZNVHNH-UHFFFAOYSA-N
XLogP3.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114713119
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
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-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
6-chloro-2'-ethyl-N-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114711261
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
6-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-thiolane]-4-amine
CID 114712825
3'-ethyl-6-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712836
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The IUPAC name of 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine (CID 114711474) is 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine.
What is the SMILES notation for 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The canonical SMILES for 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is CCCNC1CC2(CCOC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
The InChIKey is DXDGFKWBZNVHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-2-6-17-13-9-15(5-7-18-10-15)19-14-4-3-11(16)8-12(13)14/h3-4,8,13,17H,2,5-7,9-10H2,1H3.
What are the key properties of 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine?
6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine has a molecular weight of 281.78 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine is sourced from PubChem (CID 114711474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).