(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride

C12H19ClN2O — CID 119326870

IUPAC(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
SMILESCc1ccc(CCNC(=O)[C@H](C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)7-8-14-12(15)10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyIWXJCBSLBGBLDE-PPHPATTJSA-N
MW242.75 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride

(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119326870) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
PubChem CID119326870
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
SMILESCc1ccc(CCNC(=O)[C@H](C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)7-8-14-12(15)10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H/t10-;/m0./s1
InChIKeyIWXJCBSLBGBLDE-PPHPATTJSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326879
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-3-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180033
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031
2-(aminomethyl)-3-methyl-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187565
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
(2S)-2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide;hydrochloride
CID 119309731
2-(aminomethyl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 115187033
(2R)-2-amino-N-(3-phenylpropyl)propanamide;hydrochloride
CID 70408513
(2R)-2-amino-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide;hydrochloride
CID 119288877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride (CID 119326870) is (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride is Cc1ccc(CCNC(=O)[C@H](C)N)cc1.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is IWXJCBSLBGBLDE-PPHPATTJSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-9-3-5-11(6-4-9)7-8-14-12(15)10(2)13;/h3-6,10H,7-8,13H2,1-2H3,(H,14,15);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride?
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119326870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).