N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine

C19H23NO5 — CID 165355008

IUPACN-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine
SMILESCNCC1c2cc(OC)c(OC)cc2Oc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H23NO5/c1-20-10-13-11-6-16(21-2)18(23-4)8-14(11)25-15-9-19(24-5)17(22-3)7-12(13)15/h6-9,13,20H,10H2,1-5H3
InChIKeyNDYLBZDXQOPLAY-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.18
Rot. Bonds6

About N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine

N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine (PubChem CID 165355008) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine
PubChem CID165355008
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine
SMILESCNCC1c2cc(OC)c(OC)cc2Oc2cc(OC)c(OC)cc21
InChIInChI=1S/C19H23NO5/c1-20-10-13-11-6-16(21-2)18(23-4)8-14(11)25-15-9-19(24-5)17(22-3)7-12(13)15/h6-9,13,20H,10H2,1-5H3
InChIKeyNDYLBZDXQOPLAY-UHFFFAOYSA-N
XLogP3.18
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylmethanamine
CID 84633542
9-(methoxymethyl)-2,3,6,7-tetramethyl-9H-xanthene
CID 67677273
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzoxepin-5-ol
CID 134869505
2,3,7,8-tetramethoxy-10,10-dimethylbenzo[b][1,4]benzoxasiline
CID 70926351
1-(6-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83753180
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(1S,8S)-4,5-dimethoxy-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
CID 98141678
1-[2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]-N-methylmethanamine
CID 115350069
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-[2-(5-bromo-2-methoxyphenyl)oxolan-3-yl]-N-methylmethanamine
CID 79367671
1-[2-(5-chloro-2-methoxyphenyl)cyclobutyl]-N-methylmethanamine
CID 81016874

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine?
The IUPAC name of N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine (CID 165355008) is N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine is CNCC1c2cc(OC)c(OC)cc2Oc2cc(OC)c(OC)cc21.
What is the InChIKey of N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine?
The InChIKey is NDYLBZDXQOPLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-20-10-13-11-6-16(21-2)18(23-4)8-14(11)25-15-9-19(24-5)17(22-3)7-12(13)15/h6-9,13,20H,10H2,1-5H3.
What are the key properties of N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine?
N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine has a molecular weight of 345.40 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,6,7-tetramethoxy-9H-xanthen-9-yl)methanamine is sourced from PubChem (CID 165355008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).