2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline

C22H22ClNO2 — CID 144739122

IUPAC2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1COc1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H22ClNO2/c1-15-10-11-17(16-6-4-7-18(23)12-16)13-22(15)26-14-19-20(24-2)8-5-9-21(19)25-3/h4-13,24H,14H2,1-3H3
InChIKeyLPLBJNMTXIDUAB-UHFFFAOYSA-N
MW367.88 g/mol
LogP5.94
Rot. Bonds6

About 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline

2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline (PubChem CID 144739122) has the molecular formula C22H22ClNO2 and a molecular weight of 367.88 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
PubChem CID144739122
Molecular FormulaC22H22ClNO2
Molecular Weight367.88 g/mol
Exact Mass367.13
IUPAC Name2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1COc1cc(-c2cccc(Cl)c2)ccc1C
InChIInChI=1S/C22H22ClNO2/c1-15-10-11-17(16-6-4-7-18(23)12-16)13-22(15)26-14-19-20(24-2)8-5-9-21(19)25-3/h4-13,24H,14H2,1-3H3
InChIKeyLPLBJNMTXIDUAB-UHFFFAOYSA-N
XLogP5.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.88
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
CID 144784037
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
3-methoxy-N-methyl-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]aniline
CID 129109868
3-chloro-2-[(4-fluoro-2-methylphenoxy)methyl]-N-methylaniline
CID 144932971
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
3-[4-[[2-ethyl-6-(methylamino)phenyl]methoxy]-3-methylphenyl]benzonitrile
CID 144784809
2-[[4-(4,5-difluoro-2-methoxyphenyl)-2,5-dimethylphenoxy]methyl]-N,3-dimethylaniline
CID 144785029
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
CID 144738945
N-amino-N-methylformamide;3-methoxy-N-methyl-2-[[2-methyl-4-(1-prop-2-ynylpyrazol-3-yl)phenoxy]methyl]aniline
CID 144597796

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline?
The IUPAC name of 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline (CID 144739122) is 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline is CNc1cccc(OC)c1COc1cc(-c2cccc(Cl)c2)ccc1C.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline?
The InChIKey is LPLBJNMTXIDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO2/c1-15-10-11-17(16-6-4-7-18(23)12-16)13-22(15)26-14-19-20(24-2)8-5-9-21(19)25-3/h4-13,24H,14H2,1-3H3.
What are the key properties of 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline?
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline has a molecular weight of 367.88 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 144739122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).