1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

C16H18ClNO2 — CID 60880600

IUPAC1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-18-10-13-9-15(19-2)6-7-16(13)20-11-12-4-3-5-14(17)8-12/h3-9,18H,10-11H2,1-2H3
InChIKeyBSOQCVBTWOJUSM-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.65
Rot. Bonds6

About 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine

1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (PubChem CID 60880600) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
PubChem CID60880600
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
SMILESCNCc1cc(OC)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2/c1-18-10-13-9-15(19-2)6-7-16(13)20-11-12-4-3-5-14(17)8-12/h3-9,18H,10-11H2,1-2H3
InChIKeyBSOQCVBTWOJUSM-UHFFFAOYSA-N
XLogP3.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(3-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60889197
1-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880037
1-[2-[(3,5-dimethylphenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 61028878
1-[4-methoxy-2-[(3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 61268156
1-(5-chloro-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 961380
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
1-(2-ethoxy-5-methoxyphenyl)-N-methylmethanamine
CID 43276259
1-[2-[(2-bromophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine
CID 60880406
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
1-[2-[(3-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methylmethanamine
CID 103037822
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
3-[[5-methoxy-2-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 61267232

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine (CID 60880600) is 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is CNCc1cc(OC)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
The InChIKey is BSOQCVBTWOJUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-18-10-13-9-15(19-2)6-7-16(13)20-11-12-4-3-5-14(17)8-12/h3-9,18H,10-11H2,1-2H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine?
1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methoxy]-5-methoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 60880600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).