6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

C12H13Cl2NO — CID 66746467

IUPAC6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESNC1CC2(CCC2)Oc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H13Cl2NO/c13-8-4-7-10(15)6-12(2-1-3-12)16-11(7)5-9(8)14/h4-5,10H,1-3,6,15H2
InChIKeyNEWVKZCKTZMBBF-UHFFFAOYSA-N
MW258.15 g/mol
LogP3.70
Rot. Bonds

About 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine

6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (PubChem CID 66746467) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.

Molecular Properties

Compound Name6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
PubChem CID66746467
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
SMILESNC1CC2(CCC2)Oc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C12H13Cl2NO/c13-8-4-7-10(15)6-12(2-1-3-12)16-11(7)5-9(8)14/h4-5,10H,1-3,6,15H2
InChIKeyNEWVKZCKTZMBBF-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-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

7-chlorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82388879
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 95970213
7-tert-butylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 24804627
6-chloro-3',3'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114709074
6-chloro-4'-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114708937
(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 42129974
6-chloro-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82463025
(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 42130060
7-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114709132
(4S)-6-bromo-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 104947142
(4S)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945253
(4R)-6-chloro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104945034

Frequently Asked Questions

What is the IUPAC name of 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The IUPAC name of 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine (CID 66746467) is 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine.
What is the SMILES notation for 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The canonical SMILES for 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is NC1CC2(CCC2)Oc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
The InChIKey is NEWVKZCKTZMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c13-8-4-7-10(15)6-12(2-1-3-12)16-11(7)5-9(8)14/h4-5,10H,1-3,6,15H2.
What are the key properties of 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine?
6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine has a molecular weight of 258.15 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichlorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine is sourced from PubChem (CID 66746467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).