1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

C21H23NO3 — CID 775222

IUPAC1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-23-19-11-16(12-20(24-2)21(19)25-3)14-22-13-15-8-9-17-6-4-5-7-18(17)10-15/h4-12,22H,13-14H2,1-3H3
InChIKeyNXSQTQBKAZNIAZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.16
Rot. Bonds7

About 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine

1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 775222) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID775222
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(CNCc2ccc3ccccc3c2)cc(OC)c1OC
InChIInChI=1S/C21H23NO3/c1-23-19-11-16(12-20(24-2)21(19)25-3)14-22-13-15-8-9-17-6-4-5-7-18(17)10-15/h4-12,22H,13-14H2,1-3H3
InChIKeyNXSQTQBKAZNIAZ-UHFFFAOYSA-N
XLogP4.16
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 30629580
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
1-(2-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 119137895
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
1-pyridin-4-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine chloride
CID 53351776
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine (CID 775222) is 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(CNCc2ccc3ccccc3c2)cc(OC)c1OC.
What is the InChIKey of 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is NXSQTQBKAZNIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-23-19-11-16(12-20(24-2)21(19)25-3)14-22-13-15-8-9-17-6-4-5-7-18(17)10-15/h4-12,22H,13-14H2,1-3H3.
What are the key properties of 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine?
1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine has a molecular weight of 337.42 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 775222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).