2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide

C14H22ClN3O — CID 55022365

IUPAC2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C14H22ClN3O/c1-4-18(9-13(19)17-3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyRMFHAQLQCUBUKT-UHFFFAOYSA-N
MW283.80 g/mol
LogP1.80
Rot. Bonds6

About 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide

2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide (PubChem CID 55022365) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
PubChem CID55022365
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(c1ccccc1Cl)C(C)N
InChIInChI=1S/C14H22ClN3O/c1-4-18(9-13(19)17-3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19)
InChIKeyRMFHAQLQCUBUKT-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-phenylpropyl)-propylamino]-N-methylacetamide
CID 55017743
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]-N-methylacetamide
CID 82982515
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
CID 103101337
2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
3-amino-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120502499
1-N-butyl-1-(2-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55018949
2-[[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772390
1-(2-chlorophenyl)-1-N-ethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 55018516
(2S)-2-(2-chlorophenyl)-4-(methylamino)-4-oxobutanoic acid
CID 94687943
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-ethylacetamide
CID 60505315
N-[(2R)-2-(2-chlorophenyl)-2-(diethylamino)ethyl]butanamide
CID 34948840
1-[1-(2-chlorophenyl)ethyl]-1,3-dimethylurea
CID 47306890

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide (CID 55022365) is 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C(c1ccccc1Cl)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide?
The InChIKey is RMFHAQLQCUBUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-4-18(9-13(19)17-3)14(10(2)16)11-7-5-6-8-12(11)15/h5-8,10,14H,4,9,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide?
2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide has a molecular weight of 283.80 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 55022365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).