N-(1-aminoethyl)-4-methylbenzamide;hydrochloride

C10H15ClN2O — CID 18770702

IUPACN-(1-aminoethyl)-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C)N)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-7-3-5-9(6-4-7)10(13)12-8(2)11;/h3-6,8H,11H2,1-2H3,(H,12,13);1H
InChIKeySCCGPUWUIMJIFZ-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.45
Rot. Bonds2

About N-(1-aminoethyl)-4-methylbenzamide;hydrochloride

N-(1-aminoethyl)-4-methylbenzamide;hydrochloride (PubChem CID 18770702) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is N-(1-aminoethyl)-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminoethyl)-4-methylbenzamide;hydrochloride
PubChem CID18770702
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC NameN-(1-aminoethyl)-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C)N)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-7-3-5-9(6-4-7)10(13)12-8(2)11;/h3-6,8H,11H2,1-2H3,(H,12,13);1H
InChIKeySCCGPUWUIMJIFZ-UHFFFAOYSA-N
XLogP1.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3R)-3-hydroxybutan-2-yl]-4-methylbenzamide
CID 167046854
methyl 2-[(4-methylbenzoyl)amino]propanoate
CID 531439
N-(1-amino-2-methylbutyl)-4-methylbenzamide
CID 18770723
N-(3-chlorobutan-2-yl)-4-methylbenzamide
CID 130948827
N-[2,2-dichloro-1-[(4-methylbenzoyl)amino]ethyl]-4-methylbenzamide
CID 1115971
4-methyl-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 836976
N-(3-aminobutyl)-4-methylbenzamide;hydrochloride
CID 119497304
N-[(1S)-1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]-4-methylbenzamide
CID 27349912
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
diethyl 2-[(4-methylbenzoyl)amino]propanedioate
CID 17447783
N-(4-bromobutan-2-yl)-4-methylbenzamide
CID 83180516
N-[(1R)-2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]-4-methylbenzamide
CID 34256707

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethyl)-4-methylbenzamide;hydrochloride?
The IUPAC name of N-(1-aminoethyl)-4-methylbenzamide;hydrochloride (CID 18770702) is N-(1-aminoethyl)-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-aminoethyl)-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-(1-aminoethyl)-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC(C)N)cc1.Cl.
What is the InChIKey of N-(1-aminoethyl)-4-methylbenzamide;hydrochloride?
The InChIKey is SCCGPUWUIMJIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-7-3-5-9(6-4-7)10(13)12-8(2)11;/h3-6,8H,11H2,1-2H3,(H,12,13);1H.
What are the key properties of N-(1-aminoethyl)-4-methylbenzamide;hydrochloride?
N-(1-aminoethyl)-4-methylbenzamide;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 18770702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).