2-chloro-5-propan-2-ylbenzaldehyde;methanamine

C11H16ClNO — CID 168894459

IUPAC2-chloro-5-propan-2-ylbenzaldehyde;methanamine
SMILESCC(C)c1ccc(Cl)c(C=O)c1.CN
InChIInChI=1S/C10H11ClO.CH5N/c1-7(2)8-3-4-10(11)9(5-8)6-12;1-2/h3-7H,1-2H3;2H2,1H3
InChIKeyKFZCZKCMMWHIDM-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.85
Rot. Bonds2

About 2-chloro-5-propan-2-ylbenzaldehyde;methanamine

2-chloro-5-propan-2-ylbenzaldehyde;methanamine (PubChem CID 168894459) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-chloro-5-propan-2-ylbenzaldehyde;methanamine.

Molecular Properties

Compound Name2-chloro-5-propan-2-ylbenzaldehyde;methanamine
PubChem CID168894459
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-chloro-5-propan-2-ylbenzaldehyde;methanamine
SMILESCC(C)c1ccc(Cl)c(C=O)c1.CN
InChIInChI=1S/C10H11ClO.CH5N/c1-7(2)8-3-4-10(11)9(5-8)6-12;1-2/h3-7H,1-2H3;2H2,1H3
InChIKeyKFZCZKCMMWHIDM-UHFFFAOYSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.85
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-ethyl-5-propan-2-ylbenzaldehyde
CID 105436611
1-chloro-2-nitroso-4-propan-2-ylbenzene
CID 118242296
2-chloro-5-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170817757
5-(3-bromo-1,2-dihydroxypropyl)-2-chlorobenzaldehyde
CID 171859881
5-tert-butyl-2-chlorobenzaldehyde
CID 50997855
3-bromo-2-chloro-5-propan-2-ylbenzaldehyde
CID 163198279
4-propan-2-ylbenzaldehyde
CID 326
2-chloro-5-propan-2-ylphenol
CID 59596487
1-(2-chloro-5-propan-2-ylphenyl)ethanone
CID 83988508
2-chloro-5-methylsulfonylbenzaldehyde
CID 117275466
4-chloro-2-(2-methyl-5-propan-2-ylphenoxy)benzaldehyde
CID 114844853
5-(1-aminoethyl)-2-hydroxybenzaldehyde
CID 105432657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-propan-2-ylbenzaldehyde;methanamine?
The IUPAC name of 2-chloro-5-propan-2-ylbenzaldehyde;methanamine (CID 168894459) is 2-chloro-5-propan-2-ylbenzaldehyde;methanamine.
What is the SMILES notation for 2-chloro-5-propan-2-ylbenzaldehyde;methanamine?
The canonical SMILES for 2-chloro-5-propan-2-ylbenzaldehyde;methanamine is CC(C)c1ccc(Cl)c(C=O)c1.CN.
What is the InChIKey of 2-chloro-5-propan-2-ylbenzaldehyde;methanamine?
The InChIKey is KFZCZKCMMWHIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.CH5N/c1-7(2)8-3-4-10(11)9(5-8)6-12;1-2/h3-7H,1-2H3;2H2,1H3.
What are the key properties of 2-chloro-5-propan-2-ylbenzaldehyde;methanamine?
2-chloro-5-propan-2-ylbenzaldehyde;methanamine has a molecular weight of 213.71 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-propan-2-ylbenzaldehyde;methanamine is sourced from PubChem (CID 168894459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).