5-chloro-2-[methyl(pentyl)amino]benzaldehyde

C13H18ClNO — CID 114843937

IUPAC5-chloro-2-[methyl(pentyl)amino]benzaldehyde
SMILESCCCCCN(C)c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H18ClNO/c1-3-4-5-8-15(2)13-7-6-12(14)9-11(13)10-16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyLWBJUQOACGLNHE-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.78
Rot. Bonds6

About 5-chloro-2-[methyl(pentyl)amino]benzaldehyde

5-chloro-2-[methyl(pentyl)amino]benzaldehyde (PubChem CID 114843937) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-2-[methyl(pentyl)amino]benzaldehyde.

Molecular Properties

Compound Name5-chloro-2-[methyl(pentyl)amino]benzaldehyde
PubChem CID114843937
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name5-chloro-2-[methyl(pentyl)amino]benzaldehyde
SMILESCCCCCN(C)c1ccc(Cl)cc1C=O
InChIInChI=1S/C13H18ClNO/c1-3-4-5-8-15(2)13-7-6-12(14)9-11(13)10-16/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyLWBJUQOACGLNHE-UHFFFAOYSA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[methyl(pentyl)amino]benzoic acid
CID 63513449
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
N-butyl-5-chloro-2-(chloromethyl)-N-methylaniline
CID 114846304
5-chloro-2-[(4-methoxyphenyl)methyl-methylamino]benzaldehyde
CID 114844036
2-[(4-bromothiophen-2-yl)methyl-methylamino]-5-chlorobenzaldehyde
CID 114844120
4-chloro-2-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 114844058
2-[(tert-butylamino)methyl]-5-chloro-N-methyl-N-pentylaniline
CID 114848078
4-chloro-2-[3-(dimethylamino)propyl-ethylamino]benzaldehyde
CID 102994578
ethyl 4-(4-bromo-2-formyl-N-methylanilino)butanoate
CID 11393289
2-(4-chloro-N-ethyl-2-formylanilino)-N-methylacetamide
CID 114844095
4-chloro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114844194
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[methyl(pentyl)amino]benzaldehyde?
The IUPAC name of 5-chloro-2-[methyl(pentyl)amino]benzaldehyde (CID 114843937) is 5-chloro-2-[methyl(pentyl)amino]benzaldehyde.
What is the SMILES notation for 5-chloro-2-[methyl(pentyl)amino]benzaldehyde?
The canonical SMILES for 5-chloro-2-[methyl(pentyl)amino]benzaldehyde is CCCCCN(C)c1ccc(Cl)cc1C=O.
What is the InChIKey of 5-chloro-2-[methyl(pentyl)amino]benzaldehyde?
The InChIKey is LWBJUQOACGLNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-3-4-5-8-15(2)13-7-6-12(14)9-11(13)10-16/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of 5-chloro-2-[methyl(pentyl)amino]benzaldehyde?
5-chloro-2-[methyl(pentyl)amino]benzaldehyde has a molecular weight of 239.75 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[methyl(pentyl)amino]benzaldehyde is sourced from PubChem (CID 114843937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).