4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide

C14H21ClN2O — CID 112517479

IUPAC4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide
SMILESCCC(CN)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-11(9-16)7-8-14(18)17-13-6-4-5-12(15)10(13)2/h4-6,11H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyRMVPPZZZJPUFNK-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.35
Rot. Bonds6

About 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide

4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide (PubChem CID 112517479) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide
PubChem CID112517479
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide
SMILESCCC(CN)CCC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C14H21ClN2O/c1-3-11(9-16)7-8-14(18)17-13-6-4-5-12(15)10(13)2/h4-6,11H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyRMVPPZZZJPUFNK-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-methylpentanamide
CID 119762097
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
2-(3-amino-2-methylpropyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 66224752
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
7-amino-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]heptanamide
CID 119762063
3-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]-N-(3-chloro-2-methylphenyl)propanamide;hydroiodide
CID 110944509
N-(3-chloro-2-methylphenyl)-3-(ethylamino)butanamide
CID 60663281
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide?
The IUPAC name of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide (CID 112517479) is 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide.
What is the SMILES notation for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide?
The canonical SMILES for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide is CCC(CN)CCC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide?
The InChIKey is RMVPPZZZJPUFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-11(9-16)7-8-14(18)17-13-6-4-5-12(15)10(13)2/h4-6,11H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide?
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide has a molecular weight of 268.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3-chloro-2-methylphenyl)hexanamide is sourced from PubChem (CID 112517479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).