N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C18H27FN2 — CID 43685485

IUPACN-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(NC1CC2CCC(C1)N2C)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2/c1-12(2)18(13-4-6-14(19)7-5-13)20-15-10-16-8-9-17(11-15)21(16)3/h4-7,12,15-18,20H,8-11H2,1-3H3
InChIKeyMAMULAUWASPGRH-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43685485) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43685485
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)C(NC1CC2CCC(C1)N2C)c1ccc(F)cc1
InChIInChI=1S/C18H27FN2/c1-12(2)18(13-4-6-14(19)7-5-13)20-15-10-16-8-9-17(11-15)21(16)3/h4-7,12,15-18,20H,8-11H2,1-3H3
InChIKeyMAMULAUWASPGRH-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-N-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 43685398
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylcyclobutan-1-amine
CID 104859634
N-[1-(4-fluorophenyl)-2-methylpropyl]-5-methylthiolan-3-amine
CID 79941806
N-[1-(4-fluorophenyl)-2-methylpropyl]-2,3-dihydro-1H-inden-2-amine
CID 43685519
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
1-(4-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681196
(1S,5R)-3-[bis(4-fluorophenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 24978533
(1S,5R)-9-methyl-N-[(1S)-1-(3,4,5-trifluorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 97323060
N-[1-(4-bromophenyl)-2-methylpropyl]cyclopropanamine
CID 83693837
2-(4-fluorophenyl)sulfanyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 6928663
N-[1-(4-chlorophenyl)-2-methylpropyl]-1-methylpiperidin-4-amine
CID 43234109
N-[1-(3-chloro-4-fluorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471798

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43685485) is N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC(C)C(NC1CC2CCC(C1)N2C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MAMULAUWASPGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-12(2)18(13-4-6-14(19)7-5-13)20-15-10-16-8-9-17(11-15)21(16)3/h4-7,12,15-18,20H,8-11H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 290.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2-methylpropyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43685485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).