[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine

C16H18ClNO2 — CID 65338262

IUPAC[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc(Cl)c(C)c2)cc1CN
InChIInChI=1S/C16H18ClNO2/c1-11-7-14(4-5-15(11)17)20-10-12-3-6-16(19-2)13(8-12)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeySNOIXPSXYCOHDV-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.69
Rot. Bonds5

About [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine

[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine (PubChem CID 65338262) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
PubChem CID65338262
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COc2ccc(Cl)c(C)c2)cc1CN
InChIInChI=1S/C16H18ClNO2/c1-11-7-14(4-5-15(11)17)20-10-12-3-6-16(19-2)13(8-12)9-18/h3-8H,9-10,18H2,1-2H3
InChIKeySNOIXPSXYCOHDV-UHFFFAOYSA-N
XLogP3.69
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-[(5-ethyl-2-methoxyphenyl)methoxy]-2-methylbenzene
CID 57398314
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[3-[(4-bromo-3-methylphenoxy)methyl]-4-methoxyphenyl]methanamine
CID 83133090
[2-methoxy-5-[(2,3,5-trimethylphenoxy)methyl]phenyl]methanamine
CID 65338686
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 65338351
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
[4-[(4-chloro-3-methylphenoxy)methyl]-3-fluorophenyl]methanamine
CID 43530909
[3-chloro-4-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methoxyphenyl]methanamine
CID 20987890
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine (CID 65338262) is [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine is COc1ccc(COc2ccc(Cl)c(C)c2)cc1CN.
What is the InChIKey of [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine?
The InChIKey is SNOIXPSXYCOHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-7-14(4-5-15(11)17)20-10-12-3-6-16(19-2)13(8-12)9-18/h3-8H,9-10,18H2,1-2H3.
What are the key properties of [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine?
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine has a molecular weight of 291.78 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 65338262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).