3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide

C15H23ClN2O2 — CID 81075313

IUPAC3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-3-12(11-17)10-15(19)18(2)8-9-20-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11,17H2,1-2H3
InChIKeySOAUYTASOKAFHY-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.55
Rot. Bonds8

About 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide

3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide (PubChem CID 81075313) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
PubChem CID81075313
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-3-12(11-17)10-15(19)18(2)8-9-20-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11,17H2,1-2H3
InChIKeySOAUYTASOKAFHY-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
3-(aminomethyl)-N-methyl-N-(3-phenoxypropyl)pentanamide
CID 81087362
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-phenylbutanamide
CID 112792657
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
CID 81086606
2-[1-(aminomethyl)cyclobutyl]-N-[2-(4-chlorophenoxy)ethyl]-N-methylacetamide
CID 81172510
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 9228680
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide (CID 81075313) is 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide is CCC(CN)CC(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide?
The InChIKey is SOAUYTASOKAFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-12(11-17)10-15(19)18(2)8-9-20-14-6-4-13(16)5-7-14/h4-7,12H,3,8-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide?
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide has a molecular weight of 298.81 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 81075313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).