N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

C18H27ClFN — CID 74070093

IUPACN-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)C2CCC1(C)C(NCCc1ccc(F)cc1)C2.Cl
InChIInChI=1S/C18H26FN.ClH/c1-17(2)14-8-10-18(17,3)16(12-14)20-11-9-13-4-6-15(19)7-5-13;/h4-7,14,16,20H,8-12H2,1-3H3;1H
InChIKeyUUTRVGABURNZTI-UHFFFAOYSA-N
MW311.87 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride

N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (PubChem CID 74070093) has the molecular formula C18H27ClFN and a molecular weight of 311.87 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
PubChem CID74070093
Molecular FormulaC18H27ClFN
Molecular Weight311.87 g/mol
Exact Mass311.18
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
SMILESCC1(C)C2CCC1(C)C(NCCc1ccc(F)cc1)C2.Cl
InChIInChI=1S/C18H26FN.ClH/c1-17(2)14-8-10-18(17,3)16(12-14)20-11-9-13-4-6-15(19)7-5-13;/h4-7,14,16,20H,8-12H2,1-3H3;1H
InChIKeyUUTRVGABURNZTI-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.87
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2R,4S)-N-[(4-methoxyphenyl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 23619995
(1S,2R,4R)-1,7,7-trimethyl-N-propylbicyclo[2.2.1]heptan-2-amine
CID 124572596
1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 80681298
1,7,7-trimethyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103931540
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride (CID 74070093) is N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is CC1(C)C2CCC1(C)C(NCCc1ccc(F)cc1)C2.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
The InChIKey is UUTRVGABURNZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN.ClH/c1-17(2)14-8-10-18(17,3)16(12-14)20-11-9-13-4-6-15(19)7-5-13;/h4-7,14,16,20H,8-12H2,1-3H3;1H.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride?
N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride has a molecular weight of 311.87 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine;hydrochloride is sourced from PubChem (CID 74070093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).