2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde

C17H18ClNO2 — CID 18933661

IUPAC2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
SMILESCN(CCOc1cccc(Cl)c1C=O)Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-19(12-14-6-3-2-4-7-14)10-11-21-17-9-5-8-16(18)15(17)13-20/h2-9,13H,10-12H2,1H3
InChIKeyFVYPPYJHESWIHC-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde

2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde (PubChem CID 18933661) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
PubChem CID18933661
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde
SMILESCN(CCOc1cccc(Cl)c1C=O)Cc1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-19(12-14-6-3-2-4-7-14)10-11-21-17-9-5-8-16(18)15(17)13-20/h2-9,13H,10-12H2,1H3
InChIKeyFVYPPYJHESWIHC-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
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-chloro-6-(2-phenoxyethoxy)benzaldehyde
CID 28603977
2-chloro-6-(4-methoxybutoxy)benzaldehyde
CID 104647699
2-chloro-6-(2-ethylsulfonylethoxy)benzaldehyde
CID 60790501
2-chloro-6-heptoxybenzaldehyde
CID 45282902
N-benzyl-2-[3,4-dichloro-2-[(dimethylamino)methyl]phenoxy]-N-methylethanamine
CID 18933589
2-chloro-6-(3-hydroxy-3-methylbutoxy)benzaldehyde
CID 79355688
N-benzyl-2-(2-cyclopropylphenoxy)-N-methylethanamine
CID 130453676
N-benzyl-N-methyl-3-naphthalen-1-yloxypropan-1-amine
CID 2182565
N-benzyl-2-(3-chloro-2-formylphenoxy)acetamide
CID 60792895
2-chloro-6-[(4-chlorophenyl)methoxy]benzaldehyde
CID 60791930
2-chloro-6-(2,3-dihydro-1-benzofuran-2-ylmethoxy)benzaldehyde
CID 66364551
2-chloro-6-phenoxybenzaldehyde
CID 18663602

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde?
The IUPAC name of 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde (CID 18933661) is 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde is CN(CCOc1cccc(Cl)c1C=O)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde?
The InChIKey is FVYPPYJHESWIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-19(12-14-6-3-2-4-7-14)10-11-21-17-9-5-8-16(18)15(17)13-20/h2-9,13H,10-12H2,1H3.
What are the key properties of 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde?
2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde has a molecular weight of 303.79 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]ethoxy]-6-chlorobenzaldehyde is sourced from PubChem (CID 18933661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).