N-(2-aminoethyl)-4-propylbenzamide;hydrochloride

C12H19ClN2O — CID 119384783

IUPACN-(2-aminoethyl)-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NCCN)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-3-10-4-6-11(7-5-10)12(15)14-9-8-13;/h4-7H,2-3,8-9,13H2,1H3,(H,14,15);1H
InChIKeyYMWVUPLPIJZDQI-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.75
Rot. Bonds5

About N-(2-aminoethyl)-4-propylbenzamide;hydrochloride

N-(2-aminoethyl)-4-propylbenzamide;hydrochloride (PubChem CID 119384783) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-propylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-propylbenzamide;hydrochloride
PubChem CID119384783
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-(2-aminoethyl)-4-propylbenzamide;hydrochloride
SMILESCCCc1ccc(C(=O)NCCN)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-2-3-10-4-6-11(7-5-10)12(15)14-9-8-13;/h4-7H,2-3,8-9,13H2,1H3,(H,14,15);1H
InChIKeyYMWVUPLPIJZDQI-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-pentyl-4-propylbenzamide
CID 70894308
N-[3-(methylamino)propyl]-4-propylbenzamide;hydrochloride
CID 119433201
N-hexyl-4-propylbenzamide
CID 70894310
N-(3-amino-2-methylpropyl)-4-propylbenzamide;hydrochloride
CID 119995304
N-(2-aminoethyl)-4-[(propanoylamino)methyl]benzamide
CID 39162903
acetic acid;N-(2-aminoethyl)-4-(hydroxymethyl)benzamide
CID 67918850
N-(3,3-dimethylbutyl)-4-(4-propylphenyl)benzamide
CID 21361632
N-(2-aminoethyl)-4-[[ethyl(propan-2-yl)amino]methyl]benzamide;dihydrochloride
CID 119383699
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
4-(4-aminobutyl)-N-(2-hydroxyethyl)benzamide;hydrochloride
CID 67368150

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-propylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-propylbenzamide;hydrochloride (CID 119384783) is N-(2-aminoethyl)-4-propylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-propylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-propylbenzamide;hydrochloride is CCCc1ccc(C(=O)NCCN)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-propylbenzamide;hydrochloride?
The InChIKey is YMWVUPLPIJZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-2-3-10-4-6-11(7-5-10)12(15)14-9-8-13;/h4-7H,2-3,8-9,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-4-propylbenzamide;hydrochloride?
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-propylbenzamide;hydrochloride is sourced from PubChem (CID 119384783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).