2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal

C16H25NO2 — CID 62277579

IUPAC2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-5-10-16(2,13-18)12-17(3)11-14-8-6-7-9-15(14)19-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyVBPNZMCIMPPZJQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds8

About 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal

2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal (PubChem CID 62277579) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
PubChem CID62277579
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal
SMILESCCCC(C)(C=O)CN(C)Cc1ccccc1OC
InChIInChI=1S/C16H25NO2/c1-5-10-16(2,13-18)12-17(3)11-14-8-6-7-9-15(14)19-4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyVBPNZMCIMPPZJQ-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
2-methyl-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]pentanal
CID 62275710
1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453642
2-bromo-N-[(2-methoxyphenyl)methyl]-N-methylethanamine
CID 61417709
3,3-diethoxy-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 63628429
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
3-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpropan-1-amine
CID 55136357
2-N-ethyl-1-N-[(2-methoxyphenyl)methyl]-1-N-methylpentane-1,2-diamine
CID 62043369
6-[(2-methoxyphenyl)methyl-methylamino]hexan-3-ol
CID 106802333
3-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 27095531
4-[[(2-methoxyphenyl)methyl-methylamino]methyl]oxane-4-carbaldehyde
CID 62391104

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal?
The IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal (CID 62277579) is 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal?
The canonical SMILES for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal is CCCC(C)(C=O)CN(C)Cc1ccccc1OC.
What is the InChIKey of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal?
The InChIKey is VBPNZMCIMPPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-10-16(2,13-18)12-17(3)11-14-8-6-7-9-15(14)19-4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal?
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal has a molecular weight of 263.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-2-methylpentanal is sourced from PubChem (CID 62277579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).