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

C17H25FN2 — CID 114832258

IUPACN-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(Cc1cccc(F)c1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25FN2/c1-12(8-13-4-3-5-14(18)9-13)20(2)17-10-15-6-7-16(11-17)19-15/h3-5,9,12,15-17,19H,6-8,10-11H2,1-2H3
InChIKeyANJLWOCXJFHERB-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.97
Rot. Bonds4

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

N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114832258) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114832258
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(Cc1cccc(F)c1)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H25FN2/c1-12(8-13-4-3-5-14(18)9-13)20(2)17-10-15-6-7-16(11-17)19-15/h3-5,9,12,15-17,19H,6-8,10-11H2,1-2H3
InChIKeyANJLWOCXJFHERB-UHFFFAOYSA-N
XLogP2.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 79614978
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
3-(3-fluorophenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 119443185
1-fluoro-3-[(2S)-2-methylbutyl]benzene
CID 125477231
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-N-propylbenzamide
CID 61232094
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 114832258) is N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CC(Cc1cccc(F)c1)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ANJLWOCXJFHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12(8-13-4-3-5-14(18)9-13)20(2)17-10-15-6-7-16(11-17)19-15/h3-5,9,12,15-17,19H,6-8,10-11H2,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 276.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114832258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).