4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride

C13H20Cl2N2O — CID 120559058

IUPAC4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-10(15)6-7-13(17)16(2)9-11-4-3-5-12(14)8-11;/h3-5,8,10H,6-7,9,15H2,1-2H3;1H
InChIKeyMZZMCSQLLKLODK-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.85
Rot. Bonds5

About 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride

4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride (PubChem CID 120559058) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
PubChem CID120559058
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
SMILESCC(N)CCC(=O)N(C)Cc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-10(15)6-7-13(17)16(2)9-11-4-3-5-12(14)8-11;/h3-5,8,10H,6-7,9,15H2,1-2H3;1H
InChIKeyMZZMCSQLLKLODK-UHFFFAOYSA-N
XLogP2.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[(3-chlorophenyl)methyl]-N-methylhexanamide
CID 82851613
2-(3-aminobutylsulfanyl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 66232590
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
1-N-[(3-chlorophenyl)methyl]-1-N-methylbutane-1,3-diamine;dihydrochloride
CID 50988303
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-chlorophenyl)methyl]-2-(4-hydroxybutan-2-ylsulfanyl)-N-methylacetamide
CID 66136572
5-amino-N-[(3-chlorophenyl)methyl]-N-ethylhexanamide
CID 82852385
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
3-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 64685066
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
N-[(3-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-N-methylpropanamide
CID 78790869
2-amino-3-[2-[(3-chlorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385516

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride (CID 120559058) is 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride is CC(N)CCC(=O)N(C)Cc1cccc(Cl)c1.Cl.
What is the InChIKey of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride?
The InChIKey is MZZMCSQLLKLODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-10(15)6-7-13(17)16(2)9-11-4-3-5-12(14)8-11;/h3-5,8,10H,6-7,9,15H2,1-2H3;1H.
What are the key properties of 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride?
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 120559058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).