(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone

C19H22ClNO2 — CID 82265361

IUPAC(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
SMILESCc1cc(OCC(C)C)c(C(=O)c2cccc(N)c2)c(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-11(2)10-23-16-8-12(3)18(20)13(4)17(16)19(22)14-6-5-7-15(21)9-14/h5-9,11H,10,21H2,1-4H3
InChIKeyOZGVDKSHAXDIRY-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.80
Rot. Bonds5

About (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone

(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone (PubChem CID 82265361) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
PubChem CID82265361
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
SMILESCc1cc(OCC(C)C)c(C(=O)c2cccc(N)c2)c(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-11(2)10-23-16-8-12(3)18(20)13(4)17(16)19(22)14-6-5-7-15(21)9-14/h5-9,11H,10,21H2,1-4H3
InChIKeyOZGVDKSHAXDIRY-UHFFFAOYSA-N
XLogP4.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
(3-aminophenyl)-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82266056
2-methylpropyl 3-aminobenzoate
CID 15914844
(3-aminophenyl)-(5-chloro-2-methoxy-4-methylphenyl)methanone
CID 82265129
(3-aminophenyl)-(4-hydroxy-2,6-dimethylphenyl)methanone
CID 95423867
(3-aminophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681672
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
3-chloro-N-ethyl-2,4-dimethyl-6-(2-methylpropoxy)aniline
CID 82265357
(4-aminophenyl)-[3-tert-butyl-4-(2-methylpropoxy)phenyl]methanone
CID 82263950
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone (CID 82265361) is (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone is Cc1cc(OCC(C)C)c(C(=O)c2cccc(N)c2)c(C)c1Cl.
What is the InChIKey of (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone?
The InChIKey is OZGVDKSHAXDIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-11(2)10-23-16-8-12(3)18(20)13(4)17(16)19(22)14-6-5-7-15(21)9-14/h5-9,11H,10,21H2,1-4H3.
What are the key properties of (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone?
(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone has a molecular weight of 331.84 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 82265361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).