[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine

C17H26FN3 — CID 81199439

IUPAC[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
SMILESCN1CCCC2CN(Cc3cc(CN)ccc3F)CCC21
InChIInChI=1S/C17H26FN3/c1-20-7-2-3-14-11-21(8-6-17(14)20)12-15-9-13(10-19)4-5-16(15)18/h4-5,9,14,17H,2-3,6-8,10-12,19H2,1H3
InChIKeyGASXWDNXMASVMB-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.20
Rot. Bonds3

About [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine

[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine (PubChem CID 81199439) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
PubChem CID81199439
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
SMILESCN1CCCC2CN(Cc3cc(CN)ccc3F)CCC21
InChIInChI=1S/C17H26FN3/c1-20-7-2-3-14-11-21(8-6-17(14)20)12-15-9-13(10-19)4-5-16(15)18/h4-5,9,14,17H,2-3,6-8,10-12,19H2,1H3
InChIKeyGASXWDNXMASVMB-UHFFFAOYSA-N
XLogP2.20
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine with MolForge

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Related Compounds

[3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 114478897
2-[2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]ethanamine
CID 81200394
1-[[5-(aminomethyl)-2-fluorophenyl]methyl]pyrrolidin-3-ol
CID 62943367
[1-[[5-(aminomethyl)-2-fluorophenyl]methyl]piperidin-3-yl]methanol
CID 43590160
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[3-methyl-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]furan-2-yl]methanamine
CID 81205816
N-methyl-1-[4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine
CID 81194985
2-methoxy-5-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]aniline
CID 81199147
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanamine
CID 62018729
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzoic acid
CID 81199224
3-methyl-4-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]benzonitrile
CID 114481273

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine (CID 81199439) is [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine is CN1CCCC2CN(Cc3cc(CN)ccc3F)CCC21.
What is the InChIKey of [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
The InChIKey is GASXWDNXMASVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-20-7-2-3-14-11-21(8-6-17(14)20)12-15-9-13(10-19)4-5-16(15)18/h4-5,9,14,17H,2-3,6-8,10-12,19H2,1H3.
What are the key properties of [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine?
[4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine has a molecular weight of 291.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 81199439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).