3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C16H22FNO — CID 114713668

IUPAC3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCC1CCC2(C1)CC(NC)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-3-11-6-7-16(9-11)10-14(18-2)13-5-4-12(17)8-15(13)19-16/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3
InChIKeyUZCJZHWDCDUJLF-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.82
Rot. Bonds2

About 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114713668) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114713668
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCC1CCC2(C1)CC(NC)c1ccc(F)cc1O2
InChIInChI=1S/C16H22FNO/c1-3-11-6-7-16(9-11)10-14(18-2)13-5-4-12(17)8-15(13)19-16/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3
InChIKeyUZCJZHWDCDUJLF-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3'-ethoxy-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825158
4'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715684
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
1'-cyclopropyl-7-fluoro-N,2'-dimethylspiro[3,4-dihydrochromene-2,4'-pyrrolidine]-4-amine
CID 114713633
6-fluoro-N,3',4'-trimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710448
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
CID 114713714
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
6-bromo-4'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cycloheptane]-4-amine
CID 114713186
6-fluoro-N-methyl-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 107450817
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439

Frequently Asked Questions

What is the IUPAC name of 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114713668) is 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCC1CCC2(C1)CC(NC)c1ccc(F)cc1O2.
What is the InChIKey of 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is UZCJZHWDCDUJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-11-6-7-16(9-11)10-14(18-2)13-5-4-12(17)8-15(13)19-16/h4-5,8,11,14,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 263.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-ethyl-7-fluoro-N-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114713668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).