N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H26FNO — CID 82462902

IUPACN-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCCNC1CC2(CCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C18H26FNO/c1-2-3-11-20-16-13-18(9-5-4-6-10-18)21-17-8-7-14(19)12-15(16)17/h7-8,12,16,20H,2-6,9-11,13H2,1H3
InChIKeyYBDBQHMJHZCKLP-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.74
Rot. Bonds4

About N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 82462902) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID82462902
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCCCNC1CC2(CCCCC2)Oc2ccc(F)cc21
InChIInChI=1S/C18H26FNO/c1-2-3-11-20-16-13-18(9-5-4-6-10-18)21-17-8-7-14(19)12-15(16)17/h7-8,12,16,20H,2-6,9-11,13H2,1H3
InChIKeyYBDBQHMJHZCKLP-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462731
N-butyl-6-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462871
6-methoxy-N-propylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713133
N-butyl-7-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462754
N',N'-dimethyl-N-(6-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)propane-1,3-diamine
CID 82462678
(4R)-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-ol
CID 104948441
6-fluoro-N,1',1'-trimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710437
6,8-dimethyl-N-pentylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 82462710
6-fluoro-N-methylspiro[3,4-dihydrochromene-2,4'-thiane]-4-amine
CID 114710439
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 82462902) is N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCCCNC1CC2(CCCCC2)Oc2ccc(F)cc21.
What is the InChIKey of N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is YBDBQHMJHZCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-3-11-20-16-13-18(9-5-4-6-10-18)21-17-8-7-14(19)12-15(16)17/h7-8,12,16,20H,2-6,9-11,13H2,1H3.
What are the key properties of N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 291.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 82462902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).