N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

C18H26FNO — CID 114713808

IUPACN,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2CC)Oc2cc(F)ccc21
InChIInChI=1S/C18H26FNO/c1-3-13-7-5-6-10-18(13)12-16(20-4-2)15-9-8-14(19)11-17(15)21-18/h8-9,11,13,16,20H,3-7,10,12H2,1-2H3
InChIKeyRHAMVWQTXTVRDH-UHFFFAOYSA-N
MW291.41 g/mol
LogP4.60
Rot. Bonds3

About N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine

N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (PubChem CID 114713808) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.

Molecular Properties

Compound NameN,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
PubChem CID114713808
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC NameN,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
SMILESCCNC1CC2(CCCCC2CC)Oc2cc(F)ccc21
InChIInChI=1S/C18H26FNO/c1-3-13-7-5-6-10-18(13)12-16(20-4-2)15-9-8-14(19)11-17(15)21-18/h8-9,11,13,16,20H,3-7,10,12H2,1-2H3
InChIKeyRHAMVWQTXTVRDH-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The IUPAC name of N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine (CID 114713808) is N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine.
What is the SMILES notation for N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The canonical SMILES for N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is CCNC1CC2(CCCCC2CC)Oc2cc(F)ccc21.
What is the InChIKey of N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
The InChIKey is RHAMVWQTXTVRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-3-13-7-5-6-10-18(13)12-16(20-4-2)15-9-8-14(19)11-17(15)21-18/h8-9,11,13,16,20H,3-7,10,12H2,1-2H3.
What are the key properties of N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine?
N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine has a molecular weight of 291.41 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine is sourced from PubChem (CID 114713808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).