2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide

C14H22ClN3O — CID 81149499

IUPAC2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
SMILESCCNCc1ccc(N(C)CC(=O)NCC)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-16-9-11-6-7-13(12(15)8-11)18(3)10-14(19)17-5-2/h6-8,16H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyNMCSUDMXXBAXBG-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.02
Rot. Bonds7

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

2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide (PubChem CID 81149499) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
PubChem CID81149499
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide
SMILESCCNCc1ccc(N(C)CC(=O)NCC)c(Cl)c1
InChIInChI=1S/C14H22ClN3O/c1-4-16-9-11-6-7-13(12(15)8-11)18(3)10-14(19)17-5-2/h6-8,16H,4-5,9-10H2,1-3H3,(H,17,19)
InChIKeyNMCSUDMXXBAXBG-UHFFFAOYSA-N
XLogP2.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[2-chloro-N-methyl-4-[(2-methylpropylamino)methyl]anilino]-N-methylacetamide
CID 81149643
N-butyl-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81149132
2-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylaniline
CID 81149614
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-ethylanilino]-N-ethylacetamide
CID 81144235
2-[2-chloro-4-[(cyclopropylamino)methyl]-N-methylanilino]-N-cyclopropylacetamide
CID 81143504
N-ethyl-2-[2-(ethylaminomethyl)-N-methylanilino]acetamide
CID 54980661
N-ethyl-2-[2-fluoro-4-(hydroxymethyl)-N-methylanilino]acetamide
CID 54980999
3-[2-chloro-N-methyl-4-(propylaminomethyl)anilino]-N-methylpropanamide
CID 106916783
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
N-[(3-bromophenyl)methyl]-2-chloro-4-(ethylaminomethyl)-N-methylaniline
CID 81148254
2-[4-chloro-N-methyl-2-[(2-methylpropylamino)methyl]anilino]-N-ethylacetamide
CID 114849464
2-[N-butyl-2-chloro-4-(ethylaminomethyl)anilino]acetamide
CID 81148812

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide?
The IUPAC name of 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide (CID 81149499) is 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide?
The canonical SMILES for 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide is CCNCc1ccc(N(C)CC(=O)NCC)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide?
The InChIKey is NMCSUDMXXBAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-16-9-11-6-7-13(12(15)8-11)18(3)10-14(19)17-5-2/h6-8,16H,4-5,9-10H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide?
2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide has a molecular weight of 283.80 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(ethylaminomethyl)-N-methylanilino]-N-ethylacetamide is sourced from PubChem (CID 81149499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).