6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H26ClNO — CID 114711391

IUPAC6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCC(C)CC2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H26ClNO/c1-4-20-16-11-18(8-7-12(2)9-13(18)3)21-17-6-5-14(19)10-15(16)17/h5-6,10,12-13,16,20H,4,7-9,11H2,1-3H3
InChIKeyNUWCGFKYSZBHFM-UHFFFAOYSA-N
MW307.87 g/mol
LogP4.97
Rot. Bonds2

About 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114711391) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114711391
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCC(C)CC2C)Oc2ccc(Cl)cc21
InChIInChI=1S/C18H26ClNO/c1-4-20-16-11-18(8-7-12(2)9-13(18)3)21-17-6-5-14(19)10-15(16)17/h5-6,10,12-13,16,20H,4,7-9,11H2,1-3H3
InChIKeyNUWCGFKYSZBHFM-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-chloro-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104949249
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
(4S)-6-bromo-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104947297
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
N-ethyl-2',6-dimethylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114712757
(4R)-2',4',6-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104950429
N-ethyl-7-fluoro-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713826
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239
(4R)-6-methoxy-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951051
6-chloro-N-ethyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114711294

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114711391) is 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCC(C)CC2C)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is NUWCGFKYSZBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-4-20-16-11-18(8-7-12(2)9-13(18)3)21-17-6-5-14(19)10-15(16)17/h5-6,10,12-13,16,20H,4,7-9,11H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 307.87 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-2',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114711391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).