N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide

C16H17ClN2 — CID 63181437

IUPACN-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2/c1-12(13-8-10-15(17)11-9-13)19(2)16(18)14-6-4-3-5-7-14/h3-12,18H,1-2H3/b18-16+
InChIKeyKKEIMLYYNRRSIF-FBMGVBCBSA-N
MW272.78 g/mol
LogP4.36
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide

N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide (PubChem CID 63181437) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
PubChem CID63181437
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide
SMILES[H]/N=C(\c1ccccc1)N(C)C(C)c1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2/c1-12(13-8-10-15(17)11-9-13)19(2)16(18)14-6-4-3-5-7-14/h3-12,18H,1-2H3/b18-16+
InChIKeyKKEIMLYYNRRSIF-FBMGVBCBSA-N
XLogP4.36
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.36
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-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978295
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-[1-(4-chlorophenyl)ethyl]-N-methylpropan-2-amine
CID 101225058
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenecarboximidamide
CID 63176847
2-(benzenecarboximidoyl)-4-chloro-N,N-dimethylaniline
CID 142255330
N-[(1R)-1-(4-chlorophenyl)ethyl]-N-methylprop-2-enamide
CID 166408201
N-(2-fluorophenyl)-N-methylbenzenecarboximidamide
CID 55159016
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
3-amino-1-[1-(4-chlorophenyl)ethyl]-1-methylurea
CID 62979253
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
5-chloro-2-[1-(4-chlorophenyl)ethyl-methylamino]benzenecarboximidamide
CID 62978649
2,6-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridine-4-carboxamide
CID 60735316

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide (CID 63181437) is N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide is [H]/N=C(\c1ccccc1)N(C)C(C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide?
The InChIKey is KKEIMLYYNRRSIF-FBMGVBCBSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-12(13-8-10-15(17)11-9-13)19(2)16(18)14-6-4-3-5-7-14/h3-12,18H,1-2H3/b18-16+.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide?
N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide has a molecular weight of 272.78 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-methylbenzenecarboximidamide is sourced from PubChem (CID 63181437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).