N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine

C20H21NO2 — CID 791864

IUPACN-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(OC)c2ccccc12
InChIInChI=1S/C20H21NO2/c1-22-19-10-6-3-7-16(19)14-21-13-15-11-12-20(23-2)18-9-5-4-8-17(15)18/h3-12,21H,13-14H2,1-2H3
InChIKeyBVTVXDNDPDQCNL-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.15
Rot. Bonds6

About N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine

N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine (PubChem CID 791864) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine
PubChem CID791864
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine
SMILESCOc1ccccc1CNCc1ccc(OC)c2ccccc12
InChIInChI=1S/C20H21NO2/c1-22-19-10-6-3-7-16(19)14-21-13-15-11-12-20(23-2)18-9-5-4-8-17(15)18/h3-12,21H,13-14H2,1-2H3
InChIKeyBVTVXDNDPDQCNL-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The IUPAC name of N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine (CID 791864) is N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine.
What is the SMILES notation for N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The canonical SMILES for N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine is COc1ccccc1CNCc1ccc(OC)c2ccccc12.
What is the InChIKey of N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine?
The InChIKey is BVTVXDNDPDQCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-22-19-10-6-3-7-16(19)14-21-13-15-11-12-20(23-2)18-9-5-4-8-17(15)18/h3-12,21H,13-14H2,1-2H3.
What are the key properties of N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine?
N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine has a molecular weight of 307.39 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxynaphthalen-1-yl)methyl]-1-(2-methoxyphenyl)methanamine is sourced from PubChem (CID 791864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).