N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

C19H25NO2 — CID 29225928

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25NO2/c1-4-11-22-18-10-9-17(12-19(18)21-3)14-20-13-16-7-5-15(2)6-8-16/h5-10,12,20H,4,11,13-14H2,1-3H3
InChIKeyNDMJQAGQGNLXKZ-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.08
Rot. Bonds8

About N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 29225928) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID29225928
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCCOc1ccc(CNCc2ccc(C)cc2)cc1OC
InChIInChI=1S/C19H25NO2/c1-4-11-22-18-10-9-17(12-19(18)21-3)14-20-13-16-7-5-15(2)6-8-16/h5-10,12,20H,4,11,13-14H2,1-3H3
InChIKeyNDMJQAGQGNLXKZ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]methanamine
CID 154752265
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
N-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 29227314
N-(furan-2-ylmethyl)-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 29225923
1-(3-methoxy-4-propoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 86776395
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 4719742
1-(3-methoxy-4-propoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 29225975
1-(4-heptoxy-3-methoxyphenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 54803754
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxy-4-propoxyphenyl)methanamine
CID 86808625
2-(4-fluorophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]ethanamine
CID 29225866

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 29225928) is N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is CCCOc1ccc(CNCc2ccc(C)cc2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is NDMJQAGQGNLXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-4-11-22-18-10-9-17(12-19(18)21-3)14-20-13-16-7-5-15(2)6-8-16/h5-10,12,20H,4,11,13-14H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 299.41 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 29225928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).