4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide

C16H24Cl2N2O — CID 104727149

IUPAC4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
SMILESCc1cc(Cl)c(NC(=O)CCC(CCN)C(C)C)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-10(2)12(6-7-19)4-5-16(21)20-15-9-13(17)11(3)8-14(15)18/h8-10,12H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyYWFGADQWUGVGQL-UHFFFAOYSA-N
MW331.29 g/mol
LogP4.64
Rot. Bonds7

About 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide

4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide (PubChem CID 104727149) has the molecular formula C16H24Cl2N2O and a molecular weight of 331.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
PubChem CID104727149
Molecular FormulaC16H24Cl2N2O
Molecular Weight331.29 g/mol
Exact Mass330.13
IUPAC Name4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide
SMILESCc1cc(Cl)c(NC(=O)CCC(CCN)C(C)C)cc1Cl
InChIInChI=1S/C16H24Cl2N2O/c1-10(2)12(6-7-19)4-5-16(21)20-15-9-13(17)11(3)8-14(15)18/h8-10,12H,4-7,19H2,1-3H3,(H,20,21)
InChIKeyYWFGADQWUGVGQL-UHFFFAOYSA-N
XLogP4.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
4-(2-aminoethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-5-methylhexanamide
CID 106954386
4-amino-N-(2,5-dichloro-4-methylphenyl)-4-methylpentanamide
CID 104727177
3-amino-N-(2,5-dichloro-4-methylphenyl)hexanamide
CID 104727161
4-(2-aminoethyl)-N-(2-cyano-3-methylphenyl)-5-methylhexanamide
CID 107805055
4-(2-aminoethyl)-5-methyl-N-(2-methyl-3-pyridinyl)hexanamide
CID 79043202
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
N'-(2,5-dichloro-4-methylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 107442697
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
5-amino-N-(2,4-dichlorophenyl)-4-methylpentanamide
CID 82683232
N-(2,5-dichloro-4-methylphenyl)-2-(ethylamino)acetamide
CID 104727030
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide (CID 104727149) is 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide is Cc1cc(Cl)c(NC(=O)CCC(CCN)C(C)C)cc1Cl.
What is the InChIKey of 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide?
The InChIKey is YWFGADQWUGVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O/c1-10(2)12(6-7-19)4-5-16(21)20-15-9-13(17)11(3)8-14(15)18/h8-10,12H,4-7,19H2,1-3H3,(H,20,21).
What are the key properties of 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide?
4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide has a molecular weight of 331.29 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2,5-dichloro-4-methylphenyl)-5-methylhexanamide is sourced from PubChem (CID 104727149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).