(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone

C18H20ClNO2 — CID 82265287

IUPAC(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
SMILESCc1cc(OC(C)C)c(C(=O)c2ccc(N)cc2)c(C)c1Cl
InChIInChI=1S/C18H20ClNO2/c1-10(2)22-15-9-11(3)17(19)12(4)16(15)18(21)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3
InChIKeyAQGVLLXCKCWZNW-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.56
Rot. Bonds4

About (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone

(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone (PubChem CID 82265287) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
PubChem CID82265287
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
SMILESCc1cc(OC(C)C)c(C(=O)c2ccc(N)cc2)c(C)c1Cl
InChIInChI=1S/C18H20ClNO2/c1-10(2)22-15-9-11(3)17(19)12(4)16(15)18(21)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3
InChIKeyAQGVLLXCKCWZNW-UHFFFAOYSA-N
XLogP4.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.56
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

1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethanone
CID 82053390
(3-aminophenyl)-[3-chloro-2,4-dimethyl-6-(2-methylpropoxy)phenyl]methanone
CID 82265361
(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
CID 82553178
methyl (E)-4-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-4-oxobut-2-enoate
CID 82553184
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
4-amino-N-(3-chloro-4-propan-2-yloxyphenyl)benzamide
CID 43712010
(4-aminophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 2776675
(4-aminophenyl)-(2-methoxy-5-propan-2-yloxyphenyl)methanone
CID 82265572
(E)-1-(4-aminophenyl)-3-[5-methyl-2,4-di(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 18178705
1-(2-amino-4-chloro-3,5-dimethylphenoxy)ethanol
CID 174576227
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone (CID 82265287) is (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone is Cc1cc(OC(C)C)c(C(=O)c2ccc(N)cc2)c(C)c1Cl.
What is the InChIKey of (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone?
The InChIKey is AQGVLLXCKCWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-10(2)22-15-9-11(3)17(19)12(4)16(15)18(21)13-5-7-14(20)8-6-13/h5-10H,20H2,1-4H3.
What are the key properties of (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone?
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone has a molecular weight of 317.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82265287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).