3-[[methyl(3-phenoxypropyl)amino]methyl]aniline

C17H22N2O — CID 62935749

IUPAC3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
SMILESCN(CCCOc1ccccc1)Cc1cccc(N)c1
InChIInChI=1S/C17H22N2O/c1-19(14-15-7-5-8-16(18)13-15)11-6-12-20-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14,18H2,1H3
InChIKeyNZGPYEZEUWIZOV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.17
Rot. Bonds7

About 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline

3-[[methyl(3-phenoxypropyl)amino]methyl]aniline (PubChem CID 62935749) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
PubChem CID62935749
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-[[methyl(3-phenoxypropyl)amino]methyl]aniline
SMILESCN(CCCOc1ccccc1)Cc1cccc(N)c1
InChIInChI=1S/C17H22N2O/c1-19(14-15-7-5-8-16(18)13-15)11-6-12-20-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14,18H2,1H3
InChIKeyNZGPYEZEUWIZOV-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[(3-bromophenyl)methyl-methylamino]propoxy]aniline
CID 61415944
3-[3-[(4-chlorophenyl)methyl-methylamino]propoxy]aniline
CID 61414637
N-benzyl-3-(3-ethoxyphenoxy)-N-methylpropan-1-amine
CID 2182253
3-[2-[(3-chlorophenyl)methyl-methylamino]ethoxy]aniline
CID 61413705
2-[3-(aminomethyl)phenoxy]-N-benzyl-N-methylethanamine
CID 43253622
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propoxy]aniline
CID 61438287
3-[2-[(4-ethylphenyl)methyl-methylamino]ethoxy]aniline
CID 43587259
3-[[methyl(2-phenoxyethyl)amino]methyl]benzonitrile
CID 60641547
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
3-methoxy-5-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 81146091
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline?
The IUPAC name of 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline (CID 62935749) is 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline?
The canonical SMILES for 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline is CN(CCCOc1ccccc1)Cc1cccc(N)c1.
What is the InChIKey of 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline?
The InChIKey is NZGPYEZEUWIZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(14-15-7-5-8-16(18)13-15)11-6-12-20-17-9-3-2-4-10-17/h2-5,7-10,13H,6,11-12,14,18H2,1H3.
What are the key properties of 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline?
3-[[methyl(3-phenoxypropyl)amino]methyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(3-phenoxypropyl)amino]methyl]aniline is sourced from PubChem (CID 62935749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).