2-(4-benzyl-3-chlorophenyl)guanidine

C14H14ClN3 — CID 175237085

IUPAC2-(4-benzyl-3-chlorophenyl)guanidine
SMILESNC(N)=Nc1ccc(Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3/c15-13-9-12(18-14(16)17)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,16,17,18)
InChIKeyREMRFBNKIDQERZ-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.84
Rot. Bonds3

About 2-(4-benzyl-3-chlorophenyl)guanidine

2-(4-benzyl-3-chlorophenyl)guanidine (PubChem CID 175237085) has the molecular formula C14H14ClN3 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(4-benzyl-3-chlorophenyl)guanidine.

Molecular Properties

Compound Name2-(4-benzyl-3-chlorophenyl)guanidine
PubChem CID175237085
Molecular FormulaC14H14ClN3
Molecular Weight259.74 g/mol
Exact Mass259.09
IUPAC Name2-(4-benzyl-3-chlorophenyl)guanidine
SMILESNC(N)=Nc1ccc(Cc2ccccc2)c(Cl)c1
InChIInChI=1S/C14H14ClN3/c15-13-9-12(18-14(16)17)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,16,17,18)
InChIKeyREMRFBNKIDQERZ-UHFFFAOYSA-N
XLogP2.84
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.84
H-Bond Donors ≤ 52
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-(4-benzylphenyl)guanidine;hydrochloride
CID 52946573
2-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine
CID 90644415
2-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine;hydrochloride
CID 90644414
2-(4-bromo-3-chlorophenyl)guanidine
CID 54562942
(2S,3R)-2-amino-3-(4-benzyl-3-chlorophenyl)-3-hydroxypropanoic acid
CID 102360411
N'-(4-chlorophenyl)-2-phenylethanimidamide
CID 10977705
bis(2-phenylguanidine);dihydrochloride
CID 160984545
4-benzyl-2-chloro-N',5-dimethylbenzenecarboximidamide
CID 175456704
[3-chloro-4-[3-(3-methylphenyl)-2-oxopropyl]phenyl] 4-(diaminomethylideneamino)benzoate
CID 159968217
2-[3-(2-hydroxyethyl)phenyl]guanidine
CID 18516973
2-[4-(chloromethyl)phenyl]guanidine
CID 19353569
ethanol;2-phenylguanidine
CID 172840613

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-chlorophenyl)guanidine?
The IUPAC name of 2-(4-benzyl-3-chlorophenyl)guanidine (CID 175237085) is 2-(4-benzyl-3-chlorophenyl)guanidine.
What is the SMILES notation for 2-(4-benzyl-3-chlorophenyl)guanidine?
The canonical SMILES for 2-(4-benzyl-3-chlorophenyl)guanidine is NC(N)=Nc1ccc(Cc2ccccc2)c(Cl)c1.
What is the InChIKey of 2-(4-benzyl-3-chlorophenyl)guanidine?
The InChIKey is REMRFBNKIDQERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3/c15-13-9-12(18-14(16)17)7-6-11(13)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H4,16,17,18).
What are the key properties of 2-(4-benzyl-3-chlorophenyl)guanidine?
2-(4-benzyl-3-chlorophenyl)guanidine has a molecular weight of 259.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-chlorophenyl)guanidine is sourced from PubChem (CID 175237085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).