4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde

C15H13BrClNO — CID 63535119

IUPAC4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1Cl)c1cc(Br)ccc1C=O
InChIInChI=1S/C15H13BrClNO/c1-18(9-11-4-2-3-5-14(11)17)15-8-13(16)7-6-12(15)10-19/h2-8,10H,9H2,1H3
InChIKeyRGRDLHWOHALAKV-UHFFFAOYSA-N
MW338.63 g/mol
LogP4.55
Rot. Bonds4

About 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde

4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde (PubChem CID 63535119) has the molecular formula C15H13BrClNO and a molecular weight of 338.63 g/mol. Its IUPAC name is 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde
PubChem CID63535119
Molecular FormulaC15H13BrClNO
Molecular Weight338.63 g/mol
Exact Mass336.99
IUPAC Name4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde
SMILESCN(Cc1ccccc1Cl)c1cc(Br)ccc1C=O
InChIInChI=1S/C15H13BrClNO/c1-18(9-11-4-2-3-5-14(11)17)15-8-13(16)7-6-12(15)10-19/h2-8,10H,9H2,1H3
InChIKeyRGRDLHWOHALAKV-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.63
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
4-bromo-2-[methyl-[(2-methylphenyl)methyl]amino]benzaldehyde
CID 63534951
4-bromo-2-[(2-fluorophenyl)methyl-methylamino]benzaldehyde
CID 61412218
4-bromo-2-[2-(dimethylamino)ethyl-methylamino]benzaldehyde
CID 63695233
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
4-bromo-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 43526378
4-bromo-2-[3-(dimethylamino)propyl-methylamino]benzaldehyde
CID 63695237
4-bromo-2-[methyl(3-methylbutyl)amino]benzaldehyde
CID 61428831
3-[2-[(2-chlorophenyl)methyl-methylamino]phenyl]prop-2-enoic acid
CID 76903787
4-bromo-2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]benzaldehyde
CID 63836409
N-[(2-chlorophenyl)methyl]-N-methylformamide
CID 64992323
5-bromo-2-[(2-chlorophenyl)methoxy]-3-methylbenzaldehyde
CID 112620643

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde?
The IUPAC name of 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde (CID 63535119) is 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde.
What is the SMILES notation for 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde?
The canonical SMILES for 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde is CN(Cc1ccccc1Cl)c1cc(Br)ccc1C=O.
What is the InChIKey of 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde?
The InChIKey is RGRDLHWOHALAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO/c1-18(9-11-4-2-3-5-14(11)17)15-8-13(16)7-6-12(15)10-19/h2-8,10H,9H2,1H3.
What are the key properties of 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde?
4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde has a molecular weight of 338.63 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-chlorophenyl)methyl-methylamino]benzaldehyde is sourced from PubChem (CID 63535119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).