6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H26ClNO — CID 82462914

IUPAC6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2)Oc2cc(C)c(Cl)c(C)c21
InChIInChI=1S/C18H26ClNO/c1-4-20-14-11-18(8-6-5-7-9-18)21-15-10-12(2)17(19)13(3)16(14)15/h10,14,20H,4-9,11H2,1-3H3
InChIKeyDDECAUZAAPVCOZ-UHFFFAOYSA-N
MW307.87 g/mol
LogP5.09
Rot. Bonds2

About 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 82462914) has the molecular formula C18H26ClNO and a molecular weight of 307.87 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID82462914
Molecular FormulaC18H26ClNO
Molecular Weight307.87 g/mol
Exact Mass307.17
IUPAC Name6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2)Oc2cc(C)c(Cl)c(C)c21
InChIInChI=1S/C18H26ClNO/c1-4-20-14-11-18(8-6-5-7-9-18)21-15-10-12(2)17(19)13(3)16(14)15/h10,14,20H,4-9,11H2,1-3H3
InChIKeyDDECAUZAAPVCOZ-UHFFFAOYSA-N
XLogP5.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.87
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-ethyl-5,7-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43512713
6-chloro-2,2,5,7-tetramethyl-N-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 82461928
6-chloro-2,2-diethyl-N,5,7-trimethyl-3,4-dihydrochromen-4-amine
CID 82462545
N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462884
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
N,6,7-trimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462713
6-chloro-N-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114711307
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
N-ethyl-4',4'-dimethylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114712158
7-butan-2-yloxy-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462770
N-ethyl-3',6-dimethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114712701
N-ethyl-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114712239

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 82462914) is 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCCCC2)Oc2cc(C)c(Cl)c(C)c21.
What is the InChIKey of 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is DDECAUZAAPVCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-4-20-14-11-18(8-6-5-7-9-18)21-15-10-12(2)17(19)13(3)16(14)15/h10,14,20H,4-9,11H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
6-chloro-N-ethyl-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 307.87 g/mol, XLogP of 5.09, 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-5,7-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 82462914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).