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

C16H24ClN3 — CID 81198314

IUPAC[2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine
SMILESCN1CCCC2CN(c3cccc(Cl)c3CN)CCC21
InChIInChI=1S/C16H24ClN3/c1-19-8-3-4-12-11-20(9-7-15(12)19)16-6-2-5-14(17)13(16)10-18/h2,5-6,12,15H,3-4,7-11,18H2,1H3
InChIKeyZBWAKEYGJSSKEZ-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.72
Rot. Bonds2

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

[2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine (PubChem CID 81198314) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine
PubChem CID81198314
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name[2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine
SMILESCN1CCCC2CN(c3cccc(Cl)c3CN)CCC21
InChIInChI=1S/C16H24ClN3/c1-19-8-3-4-12-11-20(9-7-15(12)19)16-6-2-5-14(17)13(16)10-18/h2,5-6,12,15H,3-4,7-11,18H2,1H3
InChIKeyZBWAKEYGJSSKEZ-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzoic acid
CID 81199525
2-[3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81195884
[2-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)phenyl]methanamine
CID 63605516
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
2-[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 114862082
2-[3-chloro-2-(chloromethyl)phenyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 43620561
[2-(azocan-1-yl)-6-chlorophenyl]methanamine
CID 28965332
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-chlorophenyl]methanol
CID 43620553
[2-(4-tert-butylpiperidin-1-yl)-6-chlorophenyl]methanamine
CID 62091270
6-[5-chloro-6-(chloromethyl)-2-pyridinyl]-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199801
[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 43122244
[3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyrazin-2-yl]methanamine
CID 81198315

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine?
The IUPAC name of [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine (CID 81198314) is [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine?
The canonical SMILES for [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine is CN1CCCC2CN(c3cccc(Cl)c3CN)CCC21.
What is the InChIKey of [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine?
The InChIKey is ZBWAKEYGJSSKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-19-8-3-4-12-11-20(9-7-15(12)19)16-6-2-5-14(17)13(16)10-18/h2,5-6,12,15H,3-4,7-11,18H2,1H3.
What are the key properties of [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine?
[2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine has a molecular weight of 293.84 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanamine is sourced from PubChem (CID 81198314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).