2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone

C13H18ClNO2 — CID 116588961

IUPAC2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CNC(C)(C)C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)15-8-11(16)9-5-6-10(14)12(7-9)17-4/h5-7,15H,8H2,1-4H3
InChIKeyUJCRYBJTNHJRRR-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.92
Rot. Bonds4

About 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone

2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone (PubChem CID 116588961) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
PubChem CID116588961
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CNC(C)(C)C)ccc1Cl
InChIInChI=1S/C13H18ClNO2/c1-13(2,3)15-8-11(16)9-5-6-10(14)12(7-9)17-4/h5-7,15H,8H2,1-4H3
InChIKeyUJCRYBJTNHJRRR-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)propan-1-one
CID 116558007
2-(tert-butylamino)-1-(3,4-dimethylphenyl)ethanone
CID 82101251
1-(4-chloro-3-methoxyphenyl)pentan-1-one
CID 79701046
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
2-(3-chloro-4-methoxyanilino)-1-(3-chloro-4-methoxyphenyl)ethanone
CID 110823882
2-[2-chloro-5-(trifluoromethyl)anilino]-1-(3,4-dimethoxyphenyl)ethanone
CID 110824940
[4-[2-(tert-butylamino)acetyl]-2-(4-tert-butylbenzoyl)oxyphenyl] 4-tert-butylbenzoate
CID 20535369
1-(4-butoxyphenyl)-3-(4-chloro-3-methoxyphenyl)propane-1,3-dione
CID 156789863
2-(4-chloro-3-methoxyphenyl)-2-oxoacetic acid
CID 131014896
2-(tert-butylamino)-1-(3-methoxyphenyl)ethanone;methanesulfonic acid
CID 3062444
2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
CID 171379453
3-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-one
CID 116558013

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone (CID 116588961) is 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone is COc1cc(C(=O)CNC(C)(C)C)ccc1Cl.
What is the InChIKey of 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone?
The InChIKey is UJCRYBJTNHJRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-13(2,3)15-8-11(16)9-5-6-10(14)12(7-9)17-4/h5-7,15H,8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone?
2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone has a molecular weight of 255.74 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(4-chloro-3-methoxyphenyl)ethanone is sourced from PubChem (CID 116588961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).