4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine

C19H25NO2 — CID 2846327

IUPAC4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-15(8-9-16-10-12-18(21-2)13-11-16)20-14-17-6-4-5-7-19(17)22-3/h4-7,10-13,15,20H,8-9,14H2,1-3H3
InChIKeyVXNOXHOGDBXKJQ-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.81
Rot. Bonds8

About 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine

4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine (PubChem CID 2846327) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine
PubChem CID2846327
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine
SMILESCOc1ccc(CCC(C)NCc2ccccc2OC)cc1
InChIInChI=1S/C19H25NO2/c1-15(8-9-16-10-12-18(21-2)13-11-16)20-14-17-6-4-5-7-19(17)22-3/h4-7,10-13,15,20H,8-9,14H2,1-3H3
InChIKeyVXNOXHOGDBXKJQ-UHFFFAOYSA-N
XLogP3.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine (CID 2846327) is 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine is COc1ccc(CCC(C)NCc2ccccc2OC)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine?
The InChIKey is VXNOXHOGDBXKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-15(8-9-16-10-12-18(21-2)13-11-16)20-14-17-6-4-5-7-19(17)22-3/h4-7,10-13,15,20H,8-9,14H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine?
4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine has a molecular weight of 299.41 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 2846327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).