N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide

C11H13ClN2 — CID 63174432

IUPACN'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)7-14-11(13)8-5-6-8/h1-4,8H,5-7H2,(H2,13,14)
InChIKeyBSINUWIPLPTANW-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.61
Rot. Bonds3

About N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide

N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide (PubChem CID 63174432) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
PubChem CID63174432
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC NameN'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
SMILESN/C(=N\Cc1ccccc1Cl)C1CC1
InChIInChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)7-14-11(13)8-5-6-8/h1-4,8H,5-7H2,(H2,13,14)
InChIKeyBSINUWIPLPTANW-UHFFFAOYSA-N
XLogP2.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.61
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

2-[(2-chlorophenyl)methyl]-1-cyclopropylguanidine
CID 62364373
N'-[[2-(trifluoromethyl)phenyl]methyl]cyclopentanecarboximidamide
CID 63173633
2-[(2-chlorophenyl)methyl]-1-ethylguanidine
CID 62364154
N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide
CID 63792797
N'-[(4-methyl-3-pyridinyl)methyl]cyclopropanecarboximidamide
CID 114957607
N'-[2-(2-methoxyphenyl)ethyl]cyclopropanecarboximidamide
CID 106262569
2-(1,3-benzodioxol-5-yl)-N'-[(2-chlorophenyl)methyl]ethanimidamide;hydrochloride
CID 69189906
N'-[(2-chloro-6-methoxyphenyl)methyl]cyclohexanecarboximidamide
CID 103293426
N'-[(2-chlorophenyl)methyl]-4-[5-[4-[N'-[(2-chlorophenyl)methyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
CID 169205786
4-amino-N'-[(2-chlorophenyl)methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 70642650
N'-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopropanecarboximidamide
CID 63178022
N'-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboximidamide
CID 63175747

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide (CID 63174432) is N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide is N/C(=N\Cc1ccccc1Cl)C1CC1.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide?
The InChIKey is BSINUWIPLPTANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)7-14-11(13)8-5-6-8/h1-4,8H,5-7H2,(H2,13,14).
What are the key properties of N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide?
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide has a molecular weight of 208.69 g/mol, XLogP of 2.61, 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]cyclopropanecarboximidamide is sourced from PubChem (CID 63174432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).