[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine

C18H23NO2 — CID 28973773

IUPAC[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12,19H2,1-3H3
InChIKeyCGBNGELXXYEJTL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds6

About [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine

[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine (PubChem CID 28973773) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
PubChem CID28973773
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C18H23NO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12,19H2,1-3H3
InChIKeyCGBNGELXXYEJTL-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

4-(bromomethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 43324734
4-(chloromethyl)-1-methoxy-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 28973814
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
[4-methoxy-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 61496889
1-[(4-fluorophenyl)methoxy]-2-methoxy-4-propan-2-ylbenzene
CID 130325597
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 171212981

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine (CID 28973773) is [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine is COc1ccc(CN)cc1OCc1ccc(C(C)C)cc1.
What is the InChIKey of [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine?
The InChIKey is CGBNGELXXYEJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13(2)16-7-4-14(5-8-16)12-21-18-10-15(11-19)6-9-17(18)20-3/h4-10,13H,11-12,19H2,1-3H3.
What are the key properties of [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine?
[4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]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 [4-methoxy-3-[(4-propan-2-ylphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 28973773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).