N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide

C12H15ClN2 — CID 63177846

IUPACN-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c1-15(12(14)9-6-7-9)8-10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/b14-12+
InChIKeyFBTQDMZPSQZUFN-WYMLVPIESA-N
MW222.72 g/mol
LogP3.16
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide

N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide (PubChem CID 63177846) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide
PubChem CID63177846
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide
SMILES[H]/N=C(\C1CC1)N(C)Cc1ccccc1Cl
InChIInChI=1S/C12H15ClN2/c1-15(12(14)9-6-7-9)8-10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/b14-12+
InChIKeyFBTQDMZPSQZUFN-WYMLVPIESA-N
XLogP3.16
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177867
2-[(2-chlorophenyl)methyl-methylcarbamoyl]benzoic acid
CID 43399794
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylcyclopropanecarboximidamide
CID 65486598
1-[(2-chlorophenyl)methyl]-3-cyclopentyl-1-methylthiourea
CID 116507608
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N,N-dibenzylcyclopropanecarboximidamide
CID 63175386
N-[(2-chlorophenyl)methyl]-N-methyl-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560275
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
N-(cyclopropylmethyl)-N-methylcyclopropanecarboximidamide
CID 63177015
N-[(2-chlorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 119267609
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119267602

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide (CID 63177846) is N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide is [H]/N=C(\C1CC1)N(C)Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide?
The InChIKey is FBTQDMZPSQZUFN-WYMLVPIESA-N. The full InChI is InChI=1S/C12H15ClN2/c1-15(12(14)9-6-7-9)8-10-4-2-3-5-11(10)13/h2-5,9,14H,6-8H2,1H3/b14-12+.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide?
N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide has a molecular weight of 222.72 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methylcyclopropanecarboximidamide is sourced from PubChem (CID 63177846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).