2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde

C10H12ClNO2 — CID 116939033

IUPAC2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
SMILESCOc1cc(C)c(C(N)C=O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-3-10(14-2)8(11)4-7(6)9(12)5-13/h3-5,9H,12H2,1-2H3
InChIKeyNSXIRXXCVAHJIU-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.86
Rot. Bonds3

About 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde

2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde (PubChem CID 116939033) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
PubChem CID116939033
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
SMILESCOc1cc(C)c(C(N)C=O)cc1Cl
InChIInChI=1S/C10H12ClNO2/c1-6-3-10(14-2)8(11)4-7(6)9(12)5-13/h3-5,9H,12H2,1-2H3
InChIKeyNSXIRXXCVAHJIU-UHFFFAOYSA-N
XLogP1.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-bromo-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 135281200
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
CID 116856914
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014
2-(5-chloro-4-methoxy-2-methylphenyl)propan-1-amine
CID 82284471
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
2-amino-2-(5-chloro-2-methoxyphenyl)acetaldehyde;hydrochloride
CID 87888710
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
(1S)-1-(5-chloro-2-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 130747269
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
(5-chloro-4-methoxy-2-methylphenyl)-cyclobutylmethanamine
CID 82292642

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde?
The IUPAC name of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde (CID 116939033) is 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde?
The canonical SMILES for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde is COc1cc(C)c(C(N)C=O)cc1Cl.
What is the InChIKey of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde?
The InChIKey is NSXIRXXCVAHJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-3-10(14-2)8(11)4-7(6)9(12)5-13/h3-5,9H,12H2,1-2H3.
What are the key properties of 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde?
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde has a molecular weight of 213.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde is sourced from PubChem (CID 116939033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).