3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline

C18H24N2O — CID 81146091

IUPAC3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
SMILESCOc1cc(N)cc(CN(C)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-20(10-6-9-15-7-4-3-5-8-15)14-16-11-17(19)13-18(12-16)21-2/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3
InChIKeyIRMNWXXPSVSYFI-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.34
Rot. Bonds7

About 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline

3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline (PubChem CID 81146091) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
PubChem CID81146091
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
SMILESCOc1cc(N)cc(CN(C)CCCc2ccccc2)c1
InChIInChI=1S/C18H24N2O/c1-20(10-6-9-15-7-4-3-5-8-15)14-16-11-17(19)13-18(12-16)21-2/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3
InChIKeyIRMNWXXPSVSYFI-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 146255660
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
4-[(3-amino-5-methoxyphenyl)methyl-methylamino]butan-2-ol
CID 113499528
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
CID 62935749
3-[[benzyl(cyclopropyl)amino]methyl]-5-methoxyaniline
CID 81145623
3-N,3-N-dibenzyl-5-methoxybenzene-1,3-diamine
CID 130162823
1-[(3-amino-5-methoxyphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 81149954
2-chloro-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 43587699
3-[(dibutylamino)methyl]-5-methoxyaniline
CID 81149053
3-chloro-N-[(3-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 61417614
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline?
The IUPAC name of 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline (CID 81146091) is 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline.
What is the SMILES notation for 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline?
The canonical SMILES for 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline is COc1cc(N)cc(CN(C)CCCc2ccccc2)c1.
What is the InChIKey of 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline?
The InChIKey is IRMNWXXPSVSYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(10-6-9-15-7-4-3-5-8-15)14-16-11-17(19)13-18(12-16)21-2/h3-5,7-8,11-13H,6,9-10,14,19H2,1-2H3.
What are the key properties of 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline?
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline has a molecular weight of 284.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline is sourced from PubChem (CID 81146091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).