(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

C16H23FN2O — CID 104947934

IUPAC(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)C[C@@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H23FN2O/c1-2-19-8-3-6-16(7-9-19)11-14(18)13-5-4-12(17)10-15(13)20-16/h4-5,10,14H,2-3,6-9,11,18H2,1H3/t14-,16?/m1/s1
InChIKeyCZJOPIVFHTVVAK-IURRXHLWSA-N
MW278.37 g/mol
LogP2.85
Rot. Bonds1

About (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine

(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (PubChem CID 104947934) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.

Molecular Properties

Compound Name(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
PubChem CID104947934
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
SMILESCCN1CCCC2(CC1)C[C@@H](N)c1ccc(F)cc1O2
InChIInChI=1S/C16H23FN2O/c1-2-19-8-3-6-16(7-9-19)11-14(18)13-5-4-12(17)10-15(13)20-16/h4-5,10,14H,2-3,6-9,11,18H2,1H3/t14-,16?/m1/s1
InChIKeyCZJOPIVFHTVVAK-IURRXHLWSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-7-fluoro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947626
1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709485
(4R)-1'-ethylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 104946207
1'-ethyl-6-methylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709709
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947683
(4R)-3'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104948009
7-bromo-1'-propylspiro[3,4-dihydrochromene-2,4'-azepane]-4-amine
CID 114709337
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
(4S)-6-bromo-1'-ethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947258
(4R)-7-fluoro-3'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 106875207
(4S)-7-fluoro-1'-propan-2-ylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]-4-amine
CID 104947698

Frequently Asked Questions

What is the IUPAC name of (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The IUPAC name of (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine (CID 104947934) is (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine.
What is the SMILES notation for (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The canonical SMILES for (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is CCN1CCCC2(CC1)C[C@@H](N)c1ccc(F)cc1O2.
What is the InChIKey of (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
The InChIKey is CZJOPIVFHTVVAK-IURRXHLWSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-19-8-3-6-16(7-9-19)11-14(18)13-5-4-12(17)10-15(13)20-16/h4-5,10,14H,2-3,6-9,11,18H2,1H3/t14-,16?/m1/s1.
What are the key properties of (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine?
(4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine has a molecular weight of 278.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1'-ethyl-7-fluorospiro[3,4-dihydrochromene-2,4'-azepane]-4-amine is sourced from PubChem (CID 104947934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).