N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride

C11H17ClN2O2 — CID 119384390

IUPACN-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)c(C)c1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-7-9(15-2)3-4-10(8)11(14)13-6-5-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyXUNDHIVQUKGYIA-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.11
Rot. Bonds4

About N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride

N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride (PubChem CID 119384390) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
PubChem CID119384390
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC NameN-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCN)c(C)c1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-7-9(15-2)3-4-10(8)11(14)13-6-5-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H
InChIKeyXUNDHIVQUKGYIA-UHFFFAOYSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methoxy-2-methylbenzoyl)amino]pentanoic acid
CID 119234134
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
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CID 119061251
4-methoxy-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 110876352
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-(2-aminoethyl)-2-[(3,5-difluorophenyl)carbamoylamino]-4-methoxybenzamide
CID 156854286
3-[(4-methoxy-2-methylbenzoyl)amino]-2-methyl-2-phenylpropanoic acid
CID 120701614
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
CID 107670534

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride (CID 119384390) is N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride is COc1ccc(C(=O)NCCN)c(C)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride?
The InChIKey is XUNDHIVQUKGYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-8-7-9(15-2)3-4-10(8)11(14)13-6-5-12;/h3-4,7H,5-6,12H2,1-2H3,(H,13,14);1H.
What are the key properties of N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride?
N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-methoxy-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 119384390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).