N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

C17H25FN2 — CID 107455755

IUPACN-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(CN2CC=CCC2)c1
InChIInChI=1S/C17H25FN2/c1-14(2)11-19-12-15-6-7-17(18)16(10-15)13-20-8-4-3-5-9-20/h3-4,6-7,10,14,19H,5,8-9,11-13H2,1-2H3
InChIKeyGNROGPMIMFCBRW-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.33
Rot. Bonds6

About N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107455755) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID107455755
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(F)c(CN2CC=CCC2)c1
InChIInChI=1S/C17H25FN2/c1-14(2)11-19-12-15-6-7-17(18)16(10-15)13-20-8-4-3-5-9-20/h3-4,6-7,10,14,19H,5,8-9,11-13H2,1-2H3
InChIKeyGNROGPMIMFCBRW-UHFFFAOYSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453693
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745
N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[3-(cyclopropylmethoxymethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107457131
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
N-[[3-bromo-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 106316648
N-[[4-fluoro-3-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenyl]methyl]ethanamine
CID 107455773
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 107455755) is N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(F)c(CN2CC=CCC2)c1.
What is the InChIKey of N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GNROGPMIMFCBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-14(2)11-19-12-15-6-7-17(18)16(10-15)13-20-8-4-3-5-9-20/h3-4,6-7,10,14,19H,5,8-9,11-13H2,1-2H3.
What are the key properties of N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107455755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).