4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide

C18H25Br2N3 — CID 23315182

IUPAC4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
SMILESBr.Br.C/N=C(\NC)c1ccc(CCc2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23N3.2BrH/c1-20-18(21-2)17-11-9-15(10-12-17)4-3-14-5-7-16(13-19)8-6-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,20,21);2*1H
InChIKeyNKLVPXZCXIZKBE-UHFFFAOYSA-N
MW443.23 g/mol
LogP3.68
Rot. Bonds5

About 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide

4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide (PubChem CID 23315182) has the molecular formula C18H25Br2N3 and a molecular weight of 443.23 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
PubChem CID23315182
Molecular FormulaC18H25Br2N3
Molecular Weight443.23 g/mol
Exact Mass441.04
IUPAC Name4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
SMILESBr.Br.C/N=C(\NC)c1ccc(CCc2ccc(CN)cc2)cc1
InChIInChI=1S/C18H23N3.2BrH/c1-20-18(21-2)17-11-9-15(10-12-17)4-3-14-5-7-16(13-19)8-6-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,20,21);2*1H
InChIKeyNKLVPXZCXIZKBE-UHFFFAOYSA-N
XLogP3.68
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.23
LogP ≤ 53.68
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-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
CID 91450570
4-[2-[4-(aminomethyl)-2-methoxyphenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide
CID 23314675
2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
CID 174660188
4-[2-[4-(aminomethyl)phenyl]ethenyl]-N'-methylbenzenecarboximidamide
CID 57029880
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-methoxyethyl)benzenecarboximidamide;dihydrochloride
CID 23315119
N-methylmethanamine;(4-methylphenyl)methanamine
CID 163390626
4-[2-[4-(aminomethyl)phenyl]ethyl]-N'-(2-phenylethyl)benzenecarboximidamide;dihydrochloride
CID 3063603
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide?
The IUPAC name of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide (CID 23315182) is 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide.
What is the SMILES notation for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide?
The canonical SMILES for 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide is Br.Br.C/N=C(\NC)c1ccc(CCc2ccc(CN)cc2)cc1.
What is the InChIKey of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide?
The InChIKey is NKLVPXZCXIZKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3.2BrH/c1-20-18(21-2)17-11-9-15(10-12-17)4-3-14-5-7-16(13-19)8-6-14;;/h5-12H,3-4,13,19H2,1-2H3,(H,20,21);2*1H.
What are the key properties of 4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide?
4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide has a molecular weight of 443.23 g/mol, XLogP of 3.68, 5 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,N'-dimethylbenzenecarboximidamide;dihydrobromide is sourced from PubChem (CID 23315182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).