1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine

C18H26FNO — CID 107701303

IUPAC1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCC1CC2CCC1C2
InChIInChI=1S/C18H26FNO/c1-2-17(20)10-14-9-16(19)5-6-18(14)21-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,17H,2-4,7-8,10-11,20H2,1H3
InChIKeyGRZQCKLWZNMEPP-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.92
Rot. Bonds6

About 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine

1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine (PubChem CID 107701303) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
PubChem CID107701303
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)ccc1OCC1CC2CCC1C2
InChIInChI=1S/C18H26FNO/c1-2-17(20)10-14-9-16(19)5-6-18(14)21-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,17H,2-4,7-8,10-11,20H2,1H3
InChIKeyGRZQCKLWZNMEPP-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]butan-2-amine
CID 79562862
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
1-(5-fluoro-2-heptoxyphenyl)butan-2-amine
CID 107701259
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
CID 107014523
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
3-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 79561131
1-[2-(cyclopropylmethoxy)-5-fluoro-4-methylphenyl]butan-2-amine
CID 170890285
[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methylphenyl]methanol
CID 79552519
1-[2-[2-(diethylamino)ethoxy]-5-fluorophenyl]butan-2-amine
CID 107701612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine (CID 107701303) is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine is CCC(N)Cc1cc(F)ccc1OCC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine?
The InChIKey is GRZQCKLWZNMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-2-17(20)10-14-9-16(19)5-6-18(14)21-11-15-8-12-3-4-13(15)7-12/h5-6,9,12-13,15,17H,2-4,7-8,10-11,20H2,1H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine?
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine has a molecular weight of 291.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine is sourced from PubChem (CID 107701303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).