3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide

C15H24ClN3O — CID 106914505

IUPAC3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
SMILESCCC(N)C(c1cccc(Cl)c1)N(C)CCC(=O)NC
InChIInChI=1S/C15H24ClN3O/c1-4-13(17)15(11-6-5-7-12(16)10-11)19(3)9-8-14(20)18-2/h5-7,10,13,15H,4,8-9,17H2,1-3H3,(H,18,20)
InChIKeyAROQLMBMUSUAHH-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.19
Rot. Bonds7

About 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide

3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide (PubChem CID 106914505) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
PubChem CID106914505
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide
SMILESCCC(N)C(c1cccc(Cl)c1)N(C)CCC(=O)NC
InChIInChI=1S/C15H24ClN3O/c1-4-13(17)15(11-6-5-7-12(16)10-11)19(3)9-8-14(20)18-2/h5-7,10,13,15H,4,8-9,17H2,1-3H3,(H,18,20)
InChIKeyAROQLMBMUSUAHH-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206628
2-[[2-amino-1-(3-chlorophenyl)ethyl]-methylamino]-N-methylacetamide
CID 55019741
1-(3-chlorophenyl)-1-N-cyclopropyl-1-N-methylbutane-1,2-diamine
CID 55020028
1-N-butyl-1-(3-chlorophenyl)-1-N-methylpropane-1,2-diamine
CID 55019737
3-[[2-amino-1-(3-fluorophenyl)butyl]-methylamino]propan-1-ol
CID 114230118
2-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]cyclohexan-1-ol
CID 102631632
2-[bis(3-chlorophenyl)methylsulfanyl]-N-methylacetamide
CID 118654886
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
methyl 3-[2-amino-1-(3-chlorophenyl)butyl]sulfanylpropanoate
CID 55019811
3-(3-chlorophenyl)-N,4,4-trimethylpentanamide
CID 82088364
1-(3-chlorophenyl)-1-N-methyl-1-N-(3-methylcyclohexyl)butane-1,2-diamine
CID 63404072
3-[(2-amino-1-pyridin-3-ylethyl)-methylamino]-N-methylpropanamide
CID 106914569

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide (CID 106914505) is 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide is CCC(N)C(c1cccc(Cl)c1)N(C)CCC(=O)NC.
What is the InChIKey of 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide?
The InChIKey is AROQLMBMUSUAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-13(17)15(11-6-5-7-12(16)10-11)19(3)9-8-14(20)18-2/h5-7,10,13,15H,4,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide?
3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide has a molecular weight of 297.83 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-chlorophenyl)butyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).