2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide

C17H20ClN3 — CID 107930491

IUPAC2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H20ClN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20)
InChIKeyUIPMUZXOPRRUTC-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.13
Rot. Bonds4

About 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide

2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide (PubChem CID 107930491) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
PubChem CID107930491
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1Cl
InChIInChI=1S/C17H20ClN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20)
InChIKeyUIPMUZXOPRRUTC-UHFFFAOYSA-N
XLogP4.13
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The IUPAC name of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide (CID 107930491) is 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N(C)C(C)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
The InChIKey is UIPMUZXOPRRUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-11-8-9-16(14(10-11)17(19)20)21(3)12(2)13-6-4-5-7-15(13)18/h4-10,12H,1-3H3,(H3,19,20).
What are the key properties of 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide?
2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide has a molecular weight of 301.82 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethyl-methylamino]-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).