4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride

C24H29Cl2N3 — CID 3063603

IUPAC4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(CCc2ccc(/C(N)=N/CCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3.2ClH/c25-18-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)24(26)27-17-16-19-4-2-1-3-5-19;;/h1-5,8-15H,6-7,16-18,25H2,(H2,26,27);2*1H
InChIKeyVYNPNXLZMNYSMU-UHFFFAOYSA-N
MW430.42 g/mol
LogP4.72
Rot. Bonds8

About 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride

4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride (PubChem CID 3063603) has the molecular formula C24H29Cl2N3 and a molecular weight of 430.42 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
PubChem CID3063603
Molecular FormulaC24H29Cl2N3
Molecular Weight430.42 g/mol
Exact Mass429.17
IUPAC Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
SMILESCl.Cl.NCc1ccc(CCc2ccc(/C(N)=N/CCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3.2ClH/c25-18-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)24(26)27-17-16-19-4-2-1-3-5-19;;/h1-5,8-15H,6-7,16-18,25H2,(H2,26,27);2*1H
InChIKeyVYNPNXLZMNYSMU-UHFFFAOYSA-N
XLogP4.72
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.42
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
CID 23315119
N'-[2-(4-chlorophenyl)ethyl]benzenecarboximidamide
CID 55138229
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide;hydrochloride
CID 57487780
4-(aminomethyl)-N'-phenylmethoxybenzenecarboximidamide
CID 57487781
4-(2-phenylethyl)benzamide
CID 23130460
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
N'-[3-[[amino(phenyl)methylidene]amino]propyl]benzenecarboximidamide
CID 132564986
N'-(2-phenylethyl)carbamimidoselenoic acid;hydrobromide
CID 173065239
1-[4-(aminomethyl)phenyl]-3-phenylpropan-1-one
CID 116548233
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
CID 174688914
CID 174688914

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride?
The IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride (CID 3063603) is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride?
The canonical SMILES for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride is Cl.Cl.NCc1ccc(CCc2ccc(/C(N)=N/CCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride?
The InChIKey is VYNPNXLZMNYSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3.2ClH/c25-18-22-10-8-20(9-11-22)6-7-21-12-14-23(15-13-21)24(26)27-17-16-19-4-2-1-3-5-19;;/h1-5,8-15H,6-7,16-18,25H2,(H2,26,27);2*1H.
What are the key properties of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride?
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride has a molecular weight of 430.42 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 3063603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).