N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride

C15H18Cl2N2OS — CID 70131323

IUPACN'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCC(C)Oc1ccc(/N=C(\N)c2cccs2)cc1CCl.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-10(2)19-13-6-5-12(8-11(13)9-16)18-15(17)14-4-3-7-20-14;/h3-8,10H,9H2,1-2H3,(H2,17,18);1H
InChIKeyNGDQAHNRHAWOTO-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.73
Rot. Bonds5

About N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride

N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride (PubChem CID 70131323) has the molecular formula C15H18Cl2N2OS and a molecular weight of 345.30 g/mol. Its IUPAC name is N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
PubChem CID70131323
Molecular FormulaC15H18Cl2N2OS
Molecular Weight345.30 g/mol
Exact Mass344.05
IUPAC NameN'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
SMILESCC(C)Oc1ccc(/N=C(\N)c2cccs2)cc1CCl.Cl
InChIInChI=1S/C15H17ClN2OS.ClH/c1-10(2)19-13-6-5-12(8-11(13)9-16)18-15(17)14-4-3-7-20-14;/h3-8,10H,9H2,1-2H3,(H2,17,18);1H
InChIKeyNGDQAHNRHAWOTO-UHFFFAOYSA-N
XLogP4.73
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(chloromethyl)-4-cyclopentylphenyl]thiophene-2-carboximidamide
CID 70141265
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
CID 10131918
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide
CID 10156689
N'-[4-(3-aminobutan-2-yl)phenyl]thiophene-2-carboximidamide
CID 142085142
N'-[3-(aminomethyl)phenyl]thiophene-2-carboximidamide;hydrochloride
CID 45260612
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304
N'-[3-[[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylamino]methyl]phenyl]thiophene-2-carboximidamide
CID 22646267
2-chloro-N'-(3-chloro-4-propan-2-yloxyphenyl)ethanimidamide
CID 169368709
4-bromo-2-(chloromethyl)-1-propan-2-yloxybenzene
CID 28981483

Frequently Asked Questions

What is the IUPAC name of N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride?
The IUPAC name of N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride (CID 70131323) is N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride is CC(C)Oc1ccc(/N=C(\N)c2cccs2)cc1CCl.Cl.
What is the InChIKey of N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride?
The InChIKey is NGDQAHNRHAWOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS.ClH/c1-10(2)19-13-6-5-12(8-11(13)9-16)18-15(17)14-4-3-7-20-14;/h3-8,10H,9H2,1-2H3,(H2,17,18);1H.
What are the key properties of N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride?
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride has a molecular weight of 345.30 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 70131323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).