N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride

C10H14Cl2N2O — CID 119385642

IUPACN-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NCCN)ccc1Cl.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-7-6-8(2-3-9(7)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyAAKASTTYJAPNOR-UHFFFAOYSA-N
MW249.14 g/mol
LogP1.76
Rot. Bonds3

About N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride

N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride (PubChem CID 119385642) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
PubChem CID119385642
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC NameN-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NCCN)ccc1Cl.Cl
InChIInChI=1S/C10H13ClN2O.ClH/c1-7-6-8(2-3-9(7)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H
InChIKeyAAKASTTYJAPNOR-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-ethyl-3-methylbenzamide
CID 18712033
4-chloro-N-(3-iodopropyl)-3-methylbenzamide
CID 114504083
4-chloro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 103919086
N-[[4-(2-aminoethyl)phenyl]methyl]-4-chloro-3-methylbenzamide
CID 115736978
N-(2-aminoethyl)-4-methyl-3-(3-methylbut-2-en-2-yl)benzamide
CID 156841315
4-chloro-N-[2-(2-hydroxypropylamino)ethyl]-3-methylbenzamide
CID 104593499
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 163329159
4-chloro-N-ethoxy-3-methylbenzamide
CID 115694489
1-N,3-N-bis(2-aminoethyl)benzene-1,3-dicarboxamide
CID 54754655

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride (CID 119385642) is N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride is Cc1cc(C(=O)NCCN)ccc1Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride?
The InChIKey is AAKASTTYJAPNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O.ClH/c1-7-6-8(2-3-9(7)11)10(14)13-5-4-12;/h2-3,6H,4-5,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride?
N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride has a molecular weight of 249.14 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-chloro-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119385642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).