2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde

C10H12ClNO2 — CID 115222884

IUPAC2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
SMILESCOc1ccc(Cl)cc1CNCC=O
InChIInChI=1S/C10H12ClNO2/c1-14-10-3-2-9(11)6-8(10)7-12-4-5-13/h2-3,5-6,12H,4,7H2,1H3
InChIKeyOQWQFWZMMJBGJN-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.64
Rot. Bonds5

About 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde

2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde (PubChem CID 115222884) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
PubChem CID115222884
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde
SMILESCOc1ccc(Cl)cc1CNCC=O
InChIInChI=1S/C10H12ClNO2/c1-14-10-3-2-9(11)6-8(10)7-12-4-5-13/h2-3,5-6,12H,4,7H2,1H3
InChIKeyOQWQFWZMMJBGJN-UHFFFAOYSA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.64
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'}

Analyze 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-methoxyphenyl)methylamino]acetaldehyde
CID 115222898
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[(5-chloro-2-methoxyphenyl)methyl]-1-phenylmethanamine
CID 4723308
N-[(5-chloro-2-methoxyphenyl)methyl]-2-methylsulfinylethanamine
CID 115632586
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine;hydrochloride
CID 17331816
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206959
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904397
N-[(5-chloro-2-methoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632837
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547
N-[(5-chloro-2-methoxyphenyl)methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17331835

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde (CID 115222884) is 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde is COc1ccc(Cl)cc1CNCC=O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde?
The InChIKey is OQWQFWZMMJBGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-14-10-3-2-9(11)6-8(10)7-12-4-5-13/h2-3,5-6,12H,4,7H2,1H3.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde?
2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde has a molecular weight of 213.66 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methylamino]acetaldehyde is sourced from PubChem (CID 115222884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).