4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride

C15H19ClN4 — CID 22125505

IUPAC4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N)c(NCCc2ccccc2)c1
InChIInChI=1S/C15H18N4.ClH/c16-13-7-6-12(15(17)18)10-14(13)19-9-8-11-4-2-1-3-5-11;/h1-7,10,19H,8-9,16H2,(H3,17,18);1H
InChIKeyXXPMGOWFTJKAIY-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.63
Rot. Bonds5

About 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride

4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride (PubChem CID 22125505) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride
PubChem CID22125505
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(N)c(NCCc2ccccc2)c1
InChIInChI=1S/C15H18N4.ClH/c16-13-7-6-12(15(17)18)10-14(13)19-9-8-11-4-2-1-3-5-11;/h1-7,10,19H,8-9,16H2,(H3,17,18);1H
InChIKeyXXPMGOWFTJKAIY-UHFFFAOYSA-N
XLogP2.63
TPSA87.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
4-amino-3-[2-(3-fluorophenyl)ethylamino]benzoic acid
CID 82785461
1-[3-amino-4-(2-phenylethylamino)phenyl]ethanone
CID 96664330
3,4-dianilinobenzenecarboximidamide
CID 142296312
4-[2-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]ethyl]benzenecarboximidamide
CID 57167650
3-(4-carbamimidoyl-2-fluoroanilino)propanoic acid;hydrochloride
CID 82253267
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
(3S)-3-[5-(4-carbamimidoylphenyl)pentanoylamino]-4-oxo-4-(2-phenylethylamino)butanoic acid
CID 57170787

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride?
The IUPAC name of 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride (CID 22125505) is 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(N)c(NCCc2ccccc2)c1.
What is the InChIKey of 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride?
The InChIKey is XXPMGOWFTJKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4.ClH/c16-13-7-6-12(15(17)18)10-14(13)19-9-8-11-4-2-1-3-5-11;/h1-7,10,19H,8-9,16H2,(H3,17,18);1H.
What are the key properties of 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride?
4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-phenylethylamino)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 22125505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).