2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde

C12H17NO2 — CID 59991777

IUPAC2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde
SMILESCNCCCc1ccccc1OCC=O
InChIInChI=1S/C12H17NO2/c1-13-8-4-6-11-5-2-3-7-12(11)15-10-9-14/h2-3,5,7,9,13H,4,6,8,10H2,1H3
InChIKeyQUOVKBKRLYQDPN-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.42
Rot. Bonds7

About 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde

2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde (PubChem CID 59991777) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde
PubChem CID59991777
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde
SMILESCNCCCc1ccccc1OCC=O
InChIInChI=1S/C12H17NO2/c1-13-8-4-6-11-5-2-3-7-12(11)15-10-9-14/h2-3,5,7,9,13H,4,6,8,10H2,1H3
InChIKeyQUOVKBKRLYQDPN-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethylphenoxy)-N-methylpentan-1-amine
CID 62486252
ethane;2-[2-(methylamino)phenoxy]acetaldehyde
CID 142381629
(2R)-2-[2-[3-(methylamino)propyl]phenoxy]propan-1-ol
CID 59779017
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
5-(2-benzylphenoxy)-N-methylpentan-1-amine
CID 12660345
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine
CID 12660349
N-methyl-4-(2-prop-1-enylphenoxy)butan-1-amine
CID 76943530
N'-[(2-methoxyphenyl)methyl]-N-methylhexane-1,6-diamine
CID 14914753
N-methyl-4-[2-[(4-methylphenyl)methyl]phenoxy]butan-1-amine;hydrochloride
CID 12660350
N-[3-(2-ethoxyphenyl)propyl]-2-(4-methoxyphenyl)acetamide
CID 92673607
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde?
The IUPAC name of 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde (CID 59991777) is 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde.
What is the SMILES notation for 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde?
The canonical SMILES for 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde is CNCCCc1ccccc1OCC=O.
What is the InChIKey of 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde?
The InChIKey is QUOVKBKRLYQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-13-8-4-6-11-5-2-3-7-12(11)15-10-9-14/h2-3,5,7,9,13H,4,6,8,10H2,1H3.
What are the key properties of 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde?
2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde has a molecular weight of 207.27 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(methylamino)propyl]phenoxy]acetaldehyde is sourced from PubChem (CID 59991777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).