2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide

C18H23N3 — CID 24704653

IUPAC2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C18H23N3/c1-3-21(4-2)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(19)20/h5-12H,3-4,13H2,1-2H3,(H3,19,20)
InChIKeyQTRBOWFAYSRPNA-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide

2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide (PubChem CID 24704653) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
PubChem CID24704653
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1-c1ccc(CN(CC)CC)cc1
InChIInChI=1S/C18H23N3/c1-3-21(4-2)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(19)20/h5-12H,3-4,13H2,1-2H3,(H3,19,20)
InChIKeyQTRBOWFAYSRPNA-UHFFFAOYSA-N
XLogP3.48
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.48
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

2-[4-(methoxymethyl)phenyl]benzenecarboximidamide
CID 6345491
2-(4-formylphenyl)benzenecarboximidamide
CID 89125419
2-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzenecarboximidamide
CID 24698268
2-[[butyl(ethyl)amino]methyl]benzenecarboximidamide
CID 24698282
2-[benzyl(ethyl)amino]-3-methylbenzenecarboximidamide
CID 107109995
2-(4-carbamimidoylphenyl)benzamide
CID 90947918
5-heptyl-2-phenylbenzenecarboximidamide;hydrochloride
CID 139680194
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
2-[5-(2-carbamimidoylphenyl)thiophen-2-yl]benzenecarboximidamide
CID 19362129
2-(dipropylamino)benzenecarboximidamide
CID 28601050
4-[[ethyl(2-ethylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790693
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790577

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide?
The IUPAC name of 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide (CID 24704653) is 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide?
The canonical SMILES for 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1-c1ccc(CN(CC)CC)cc1.
What is the InChIKey of 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide?
The InChIKey is QTRBOWFAYSRPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-21(4-2)13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)18(19)20/h5-12H,3-4,13H2,1-2H3,(H3,19,20).
What are the key properties of 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide?
2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide has a molecular weight of 281.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylaminomethyl)phenyl]benzenecarboximidamide is sourced from PubChem (CID 24704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).