1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone

C15H22ClNO — CID 63533402

IUPAC1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-10(2)9-17(11(3)4)15-7-6-13(12(5)18)8-14(15)16/h6-8,10-11H,9H2,1-5H3
InChIKeyYYMSMVJUWMZEOM-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone

1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone (PubChem CID 63533402) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone
PubChem CID63533402
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone
SMILESCC(=O)c1ccc(N(CC(C)C)C(C)C)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-10(2)9-17(11(3)4)15-7-6-13(12(5)18)8-14(15)16/h6-8,10-11H,9H2,1-5H3
InChIKeyYYMSMVJUWMZEOM-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[2-methylpropyl(propan-2-yl)amino]benzaldehyde
CID 81145822
1-[3-chloro-4-[ethyl(2-methylbutyl)amino]phenyl]ethanone
CID 79477850
2-(4-carbamothioyl-2-chloro-N-propan-2-ylanilino)acetamide
CID 63087470
1-[4-[bis(2-methylpropyl)amino]-3-fluorophenyl]ethanone
CID 63532802
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
2-chloro-N-(2-methylpropyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]aniline
CID 63533144
methyl 2-(4-carbamothioyl-2-chloro-N-propan-2-ylanilino)acetate
CID 63087138
1-[3-bromo-4-[ethyl(2-methylpropyl)amino]phenyl]ethanone
CID 55132067
2-chloro-6-[2-methylpropyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 55000783
1-[4-[bis(2-ethoxyethyl)amino]-3-chlorophenyl]ethanone
CID 82938130
2-[4-(aminomethyl)-2-chloro-N-propan-2-ylanilino]acetamide
CID 63088349
5-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzoic acid
CID 63537680

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone (CID 63533402) is 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone is CC(=O)c1ccc(N(CC(C)C)C(C)C)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone?
The InChIKey is YYMSMVJUWMZEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)9-17(11(3)4)15-7-6-13(12(5)18)8-14(15)16/h6-8,10-11H,9H2,1-5H3.
What are the key properties of 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone?
1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone has a molecular weight of 267.80 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-methylpropyl(propan-2-yl)amino]phenyl]ethanone is sourced from PubChem (CID 63533402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).