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

C21H23NO3 — CID 30629580

IUPAC1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ccc2ccccc2c1
InChIInChI=1S/C21H23NO3/c1-23-19-12-21(25-3)20(24-2)11-18(19)14-22-13-15-8-9-16-6-4-5-7-17(16)10-15/h4-12,22H,13-14H2,1-3H3
InChIKeyBCUWOTNVVMAPBF-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.16
Rot. Bonds7

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

1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (PubChem CID 30629580) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
PubChem CID30629580
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
SMILESCOc1cc(OC)c(OC)cc1CNCc1ccc2ccccc2c1
InChIInChI=1S/C21H23NO3/c1-23-19-12-21(25-3)20(24-2)11-18(19)14-22-13-15-8-9-16-6-4-5-7-17(16)10-15/h4-12,22H,13-14H2,1-3H3
InChIKeyBCUWOTNVVMAPBF-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-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 775222
N-[(2-ethylphenyl)methyl]-1-naphthalen-2-ylmethanamine
CID 64680706
1-[3-(trifluoromethyl)phenyl]-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 134015070
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-[(6,7-dimethoxynaphthalen-2-yl)methyl]ethanamine;hydrochloride
CID 20541787
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
2-naphthalen-2-yloxy-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 7583241
1-(4-methylsulfanylphenyl)-N-(naphthalen-2-ylmethyl)methanamine
CID 60584572
N-[(3-methoxy-4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 57119398
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The IUPAC name of 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine (CID 30629580) is 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The canonical SMILES for 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine is COc1cc(OC)c(OC)cc1CNCc1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
The InChIKey is BCUWOTNVVMAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-23-19-12-21(25-3)20(24-2)11-18(19)14-22-13-15-8-9-16-6-4-5-7-17(16)10-15/h4-12,22H,13-14H2,1-3H3.
What are the key properties of 1-naphthalen-2-yl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine?
1-naphthalen-2-yl-N-[(2,4,5-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-[(2,4,5-trimethoxyphenyl)methyl]methanamine is sourced from PubChem (CID 30629580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).