3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide

C14H20Cl2N2O — CID 81086606

IUPAC3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-10(8-17)6-14(19)18(2)9-11-4-5-12(15)7-13(11)16/h4-5,7,10H,3,6,8-9,17H2,1-2H3
InChIKeyKXYSMZHQMMJQGX-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.33
Rot. Bonds6

About 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide

3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide (PubChem CID 81086606) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
PubChem CID81086606
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC Name3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide
SMILESCCC(CN)CC(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O/c1-3-10(8-17)6-14(19)18(2)9-11-4-5-12(15)7-13(11)16/h4-5,7,10H,3,6,8-9,17H2,1-2H3
InChIKeyKXYSMZHQMMJQGX-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-(4-aminophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60939480
3-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpentanamide
CID 81075313
2-amino-N-[(2,4-dichlorophenyl)methyl]-N,2-dimethylbutanamide
CID 79805049
3-cyano-N-[(2,4-dichlorophenyl)methyl]-N-methylpropanamide
CID 94697067
N-[(2,4-dichlorophenyl)methyl]-N,2-dimethyl-2-(methylamino)propanamide
CID 62847986
3,5-diamino-N-[(2,4-dichlorophenyl)methyl]-N-methylbenzamide
CID 61117248
2-anilino-N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 60683217
3-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpentanamide
CID 81070909
3-[[(2,4-dichlorophenyl)methyl-formylamino]methyl]pentanoic acid
CID 142078766
N-[(2,4-dichlorophenyl)methyl]-2,2,3,3-tetrafluoro-N-methylpropanamide
CID 103732013
2-(2,4-dichlorophenyl)-N-methylacetohydrazide
CID 116844869

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide (CID 81086606) is 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide is CCC(CN)CC(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide?
The InChIKey is KXYSMZHQMMJQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c1-3-10(8-17)6-14(19)18(2)9-11-4-5-12(15)7-13(11)16/h4-5,7,10H,3,6,8-9,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide?
3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide has a molecular weight of 303.23 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylpentanamide is sourced from PubChem (CID 81086606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).