4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one

C14H20ClNO2 — CID 116916588

IUPAC4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
SMILESCOc1cc(C)c(C(=O)CCC(C)(C)N)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-7-13(18-4)11(15)8-10(9)12(17)5-6-14(2,3)16/h7-8H,5-6,16H2,1-4H3
InChIKeySZTFECYWFBUTDZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.36
Rot. Bonds5

About 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one

4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one (PubChem CID 116916588) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
PubChem CID116916588
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one
SMILESCOc1cc(C)c(C(=O)CCC(C)(C)N)cc1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-7-13(18-4)11(15)8-10(9)12(17)5-6-14(2,3)16/h7-8H,5-6,16H2,1-4H3
InChIKeySZTFECYWFBUTDZ-UHFFFAOYSA-N
XLogP3.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
2-hydroxyethyl 5-chloro-4-methoxy-2-methylbenzoate
CID 116862902
2-(5-chloro-4-methoxy-2-methylphenyl)-2-oxoacetic acid
CID 82288292
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
4-amino-1-(4-tert-butyl-2-methylphenyl)-4-methylpentan-1-one
CID 116916617
5-chloro-4-methoxy-2-methylbenzenecarbothioamide
CID 82492980
2-(aminomethyl)-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-one
CID 116923405
3-amino-1-(4-chloro-2-hydroxy-5-methoxyphenyl)propan-1-one
CID 117331390
4-(5-chloro-2-methoxy-4-methylphenyl)-2-methylbutan-2-amine
CID 82477650
4-amino-1-(4-fluoro-2-methylphenyl)-4-methylpentan-1-one
CID 116571504
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
1-(4,5-dimethoxy-2-methylphenyl)-4-hydroxybutan-1-one
CID 98015233

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The IUPAC name of 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one (CID 116916588) is 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one.
What is the SMILES notation for 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The canonical SMILES for 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one is COc1cc(C)c(C(=O)CCC(C)(C)N)cc1Cl.
What is the InChIKey of 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
The InChIKey is SZTFECYWFBUTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-13(18-4)11(15)8-10(9)12(17)5-6-14(2,3)16/h7-8H,5-6,16H2,1-4H3.
What are the key properties of 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one?
4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one has a molecular weight of 269.77 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-4-methylpentan-1-one is sourced from PubChem (CID 116916588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).