2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline

C19H18N2O — CID 142170864

IUPAC2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccccc1N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-22-19-12-6-5-11-18(19)21(17-9-3-2-4-10-17)15-16-8-7-13-20-14-16/h2-14H,15H2,1H3
InChIKeyVNMWAHIFLMEQOL-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.43
Rot. Bonds5

About 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline

2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 142170864) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID142170864
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccccc1N(Cc1cccnc1)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-22-19-12-6-5-11-18(19)21(17-9-3-2-4-10-17)15-16-8-7-13-20-14-16/h2-14H,15H2,1H3
InChIKeyVNMWAHIFLMEQOL-UHFFFAOYSA-N
XLogP4.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 22747558
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline
CID 10298288
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
3-cyclopentyloxy-4-methoxy-N-(2-methylphenyl)-N-(pyridin-3-ylmethyl)aniline
CID 18453304
4-[(2-acetyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid
CID 10364586
3-[2-ethoxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 68951266
4-[4-ethoxy-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 59179014
2-cyclopentyloxy-3-methoxy-N-(pyridin-3-ylmethyl)-N-[4-(2H-tetrazol-5-yl)phenyl]aniline
CID 141056215
2-(2-methoxyphenyl)-N-propyl-N-(pyridin-3-ylmethyl)acetamide
CID 46997861
4-[3-(cyclopropylmethoxy)-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid
CID 10158101
N-[3-cyclopentyloxy-2-methoxy-4-[N-(pyridin-3-ylmethyl)anilino]phenyl]methanesulfonamide
CID 141056205
N-[(4-methoxy-3-pyridinyl)methyl]-N-phenyl-2-(sulfonylamino)aniline
CID 172734024

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline (CID 142170864) is 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline is COc1ccccc1N(Cc1cccnc1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is VNMWAHIFLMEQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-19-12-6-5-11-18(19)21(17-9-3-2-4-10-17)15-16-8-7-13-20-14-16/h2-14H,15H2,1H3.
What are the key properties of 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline?
2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 290.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-phenyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 142170864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).