N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride

C12H19ClN2O — CID 119625603

IUPACN-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-4-12(15)14-11-7-5-10(6-8-11)9(2)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H
InChIKeyFXAJOMMQMLHPIT-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride

N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride (PubChem CID 119625603) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
PubChem CID119625603
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC NameN-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1ccc(C(C)N)cc1.Cl
InChIInChI=1S/C12H18N2O.ClH/c1-3-4-12(15)14-11-7-5-10(6-8-11)9(2)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H
InChIKeyFXAJOMMQMLHPIT-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl N-[4-(butanoylamino)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride (CID 119625603) is N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride is CCCC(=O)Nc1ccc(C(C)N)cc1.Cl.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride?
The InChIKey is FXAJOMMQMLHPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-3-4-12(15)14-11-7-5-10(6-8-11)9(2)13;/h5-9H,3-4,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride?
N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119625603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).