4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde

C12H16ClNO — CID 114843930

IUPAC4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
SMILESCC(C)CN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C12H16ClNO/c1-9(2)7-14(3)12-6-11(13)5-4-10(12)8-15/h4-6,8-9H,7H2,1-3H3
InChIKeyZEIPLTLSQHPGIA-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.24
Rot. Bonds4

About 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde

4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde (PubChem CID 114843930) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
PubChem CID114843930
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde
SMILESCC(C)CN(C)c1cc(Cl)ccc1C=O
InChIInChI=1S/C12H16ClNO/c1-9(2)7-14(3)12-6-11(13)5-4-10(12)8-15/h4-6,8-9H,7H2,1-3H3
InChIKeyZEIPLTLSQHPGIA-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde?
The IUPAC name of 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde (CID 114843930) is 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde.
What is the SMILES notation for 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde?
The canonical SMILES for 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde is CC(C)CN(C)c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde?
The InChIKey is ZEIPLTLSQHPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(2)7-14(3)12-6-11(13)5-4-10(12)8-15/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde?
4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde has a molecular weight of 225.72 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(2-methylpropyl)amino]benzaldehyde is sourced from PubChem (CID 114843930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).