1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine

C19H19NO — CID 781301

IUPAC1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
InChIKeyGIFYKGIODMXYNT-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.14
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine

1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine (PubChem CID 781301) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
PubChem CID781301
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine
SMILESCOc1ccc(CNCc2cccc3ccccc23)cc1
InChIInChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3
InChIKeyGIFYKGIODMXYNT-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine (CID 781301) is 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine is COc1ccc(CNCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
The InChIKey is GIFYKGIODMXYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-21-18-11-9-15(10-12-18)13-20-14-17-7-4-6-16-5-2-3-8-19(16)17/h2-12,20H,13-14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine?
1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)methanamine is sourced from PubChem (CID 781301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).