[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine

C18H23NO2 — CID 65338351

IUPAC[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cccc(C(C)C)c2)cc1CN
InChIInChI=1S/C18H23NO2/c1-13(2)15-5-4-6-17(10-15)21-12-14-7-8-18(20-3)16(9-14)11-19/h4-10,13H,11-12,19H2,1-3H3
InChIKeyXVNDIGDVGBGHDT-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds6

About [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine

[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine (PubChem CID 65338351) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
PubChem CID65338351
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine
SMILESCOc1ccc(COc2cccc(C(C)C)c2)cc1CN
InChIInChI=1S/C18H23NO2/c1-13(2)15-5-4-6-17(10-15)21-12-14-7-8-18(20-3)16(9-14)11-19/h4-10,13H,11-12,19H2,1-3H3
InChIKeyXVNDIGDVGBGHDT-UHFFFAOYSA-N
XLogP3.86
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 63368413
[5-[(4-chloro-3-methylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338262
[5-(1,3-benzodioxol-5-yloxymethyl)-2-methoxyphenyl]methanamine
CID 65338592
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
1-[3-[(4-methoxyphenyl)methoxy]phenyl]ethanamine
CID 60879205
[2-methoxy-5-[(3-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 65338277
[5-chloro-2-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63456890
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[2-methoxy-5-[(2,4,5-trichlorophenoxy)methyl]phenyl]methanamine
CID 65338310
[5-[(2,5-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 65338540
[3-[(2-methoxy-5-propan-2-ylphenyl)methyl]phenyl]methanamine
CID 116926185
[4-[(3-propan-2-ylphenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465371

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine (CID 65338351) is [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine is COc1ccc(COc2cccc(C(C)C)c2)cc1CN.
What is the InChIKey of [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine?
The InChIKey is XVNDIGDVGBGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)15-5-4-6-17(10-15)21-12-14-7-8-18(20-3)16(9-14)11-19/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine?
[2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine has a molecular weight of 285.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[(3-propan-2-ylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 65338351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).