2-(aminomethyl)-6-chlorobenzaldehyde

C8H8ClNO — CID 174425171

IUPAC2-(aminomethyl)-6-chlorobenzaldehyde
SMILESNCc1cccc(Cl)c1C=O
InChIInChI=1S/C8H8ClNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H,4,10H2
InChIKeyNDAORMBAGQINCR-UHFFFAOYSA-N
MW169.61 g/mol
LogP1.61
Rot. Bonds2

About 2-(aminomethyl)-6-chlorobenzaldehyde

2-(aminomethyl)-6-chlorobenzaldehyde (PubChem CID 174425171) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 2-(aminomethyl)-6-chlorobenzaldehyde.

Molecular Properties

Compound Name2-(aminomethyl)-6-chlorobenzaldehyde
PubChem CID174425171
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name2-(aminomethyl)-6-chlorobenzaldehyde
SMILESNCc1cccc(Cl)c1C=O
InChIInChI=1S/C8H8ClNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H,4,10H2
InChIKeyNDAORMBAGQINCR-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-chloro-6-iodobenzaldehyde
CID 58951891
2,6-bis(hydroxymethyl)benzaldehyde
CID 87930844
2-chloro-6-[(2-methylphenyl)methylsulfanyl]benzaldehyde
CID 55240290
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
CID 107120185
(3-chloro-2-nitrophenyl)methanamine;hydrochloride
CID 155970925
2-chloro-6-[(2,5-diethylphenoxy)methyl]benzaldehyde
CID 87530656
3-(2,6-dichlorophenyl)prop-2-en-1-amine
CID 76539417
4-(3-chloro-2-formylphenyl)but-3-enoic acid
CID 170483467
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
3-(aminomethyl)-2-chloroaniline
CID 69499181
2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
CID 158457081

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-chlorobenzaldehyde?
The IUPAC name of 2-(aminomethyl)-6-chlorobenzaldehyde (CID 174425171) is 2-(aminomethyl)-6-chlorobenzaldehyde.
What is the SMILES notation for 2-(aminomethyl)-6-chlorobenzaldehyde?
The canonical SMILES for 2-(aminomethyl)-6-chlorobenzaldehyde is NCc1cccc(Cl)c1C=O.
What is the InChIKey of 2-(aminomethyl)-6-chlorobenzaldehyde?
The InChIKey is NDAORMBAGQINCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H,4,10H2.
What are the key properties of 2-(aminomethyl)-6-chlorobenzaldehyde?
2-(aminomethyl)-6-chlorobenzaldehyde has a molecular weight of 169.61 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-chlorobenzaldehyde is sourced from PubChem (CID 174425171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).