3-amino-N-(4-methylphenyl)propanamide;hydrochloride

C10H15ClN2O — CID 15558174

IUPAC3-amino-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-8-2-4-9(5-3-8)12-10(13)6-7-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
InChIKeyPFBGLRBSCSYFGX-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.70
Rot. Bonds3

About 3-amino-N-(4-methylphenyl)propanamide;hydrochloride

3-amino-N-(4-methylphenyl)propanamide;hydrochloride (PubChem CID 15558174) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-amino-N-(4-methylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-methylphenyl)propanamide;hydrochloride
PubChem CID15558174
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-amino-N-(4-methylphenyl)propanamide;hydrochloride
SMILESCc1ccc(NC(=O)CCN)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-8-2-4-9(5-3-8)12-10(13)6-7-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H
InChIKeyPFBGLRBSCSYFGX-UHFFFAOYSA-N
XLogP1.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-phenylphenyl)propanamide;hydrochloride
CID 44769625
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
3-amino-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119279237
3-amino-N-(4-fluoro-3-methylphenyl)propanamide;hydrochloride
CID 75530834
N-(4-methylphenyl)pentanamide
CID 3662375
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
ethane;N-(4-methylphenyl)butanamide;molecular hydrogen
CID 155712374
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-methylphenyl)propanamide;hydrochloride (CID 15558174) is 3-amino-N-(4-methylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-methylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-methylphenyl)propanamide;hydrochloride is Cc1ccc(NC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-(4-methylphenyl)propanamide;hydrochloride?
The InChIKey is PFBGLRBSCSYFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-8-2-4-9(5-3-8)12-10(13)6-7-11;/h2-5H,6-7,11H2,1H3,(H,12,13);1H.
What are the key properties of 3-amino-N-(4-methylphenyl)propanamide;hydrochloride?
3-amino-N-(4-methylphenyl)propanamide;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 15558174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).