4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde

C13H18ClNO2 — CID 114844506

IUPAC4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
SMILESCOCCN(c1cc(Cl)ccc1C=O)C(C)C
InChIInChI=1S/C13H18ClNO2/c1-10(2)15(6-7-17-3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRPRIHHLGISSIGH-UHFFFAOYSA-N
MW255.75 g/mol
LogP3.01
Rot. Bonds6

About 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde

4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde (PubChem CID 114844506) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
PubChem CID114844506
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde
SMILESCOCCN(c1cc(Cl)ccc1C=O)C(C)C
InChIInChI=1S/C13H18ClNO2/c1-10(2)15(6-7-17-3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3
InChIKeyRPRIHHLGISSIGH-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 53.01
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

4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
5-chloro-2-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylaniline
CID 114853034
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82947935
4-chloro-N-(2-methoxyethyl)-2-[(2-methoxyethylamino)methyl]-N-propan-2-ylaniline
CID 114853037
4-[2-methoxyethyl(propan-2-yl)amino]-3-methylbenzaldehyde
CID 82951138
4-chloro-2-[(2-hydroxy-3-methoxypropyl)-methylamino]benzaldehyde
CID 114844149
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
CID 114843930
5-chloro-2-[(2-methoxyethylamino)methyl]-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849967
4-chloro-2-[methyl(pentan-3-yl)amino]benzaldehyde
CID 114843974
2-[butan-2-yl(2-methoxyethyl)amino]-5-fluorobenzaldehyde
CID 54999779
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972
4-chloro-2-[cyclopentyl(3-methylbutyl)amino]benzaldehyde
CID 114844447

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde (CID 114844506) is 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde is COCCN(c1cc(Cl)ccc1C=O)C(C)C.
What is the InChIKey of 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde?
The InChIKey is RPRIHHLGISSIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-10(2)15(6-7-17-3)13-8-12(14)5-4-11(13)9-16/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde?
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde has a molecular weight of 255.75 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzaldehyde is sourced from PubChem (CID 114844506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).