2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide

C15H24ClN3O — CID 114850041

IUPAC2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
SMILESCCNCc1cc(Cl)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-17-9-12-8-13(16)6-7-14(12)19(4)10-15(20)18-11(2)3/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyYEQDNAVGOFFWSC-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.41
Rot. Bonds7

About 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide

2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide (PubChem CID 114850041) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
PubChem CID114850041
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
SMILESCCNCc1cc(Cl)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C15H24ClN3O/c1-5-17-9-12-8-13(16)6-7-14(12)19(4)10-15(20)18-11(2)3/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20)
InChIKeyYEQDNAVGOFFWSC-UHFFFAOYSA-N
XLogP2.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
4-chloro-2-(ethylaminomethyl)-N-methyl-N-propylaniline
CID 114848022
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N,N-dimethylacetamide
CID 114848175
2-[4-chloro-N-methyl-2-[(propan-2-ylamino)methyl]anilino]-N-cyclopropylacetamide
CID 114850143
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 55005090
2-[4-chloro-N-methyl-2-(propylaminomethyl)anilino]-N,N-dimethylacetamide
CID 114848185
3-chloro-4-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 81151891
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[4-chloro-2-(hydroxymethyl)-N-methylanilino]-N-propylacetamide
CID 114845389
2-[4-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,N-diethylacetamide
CID 114849406
2-[4-chloro-2-[(2-methoxyethylamino)methyl]-N-methylanilino]acetamide
CID 114848156

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide (CID 114850041) is 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide is CCNCc1cc(Cl)ccc1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide?
The InChIKey is YEQDNAVGOFFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-17-9-12-8-13(16)6-7-14(12)19(4)10-15(20)18-11(2)3/h6-8,11,17H,5,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide?
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide has a molecular weight of 297.83 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 114850041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).