2-(3-chlorophenoxy)propanimidamide;hydrochloride

C9H12Cl2N2O — CID 160750726

IUPAC2-(3-chlorophenoxy)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c1-6(9(11)12)13-8-4-2-3-7(10)5-8;/h2-6H,1H3,(H3,11,12);1H
InChIKeyRWTYVHSDHHDECI-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.47
Rot. Bonds3

About 2-(3-chlorophenoxy)propanimidamide;hydrochloride

2-(3-chlorophenoxy)propanimidamide;hydrochloride (PubChem CID 160750726) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)propanimidamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenoxy)propanimidamide;hydrochloride
PubChem CID160750726
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name2-(3-chlorophenoxy)propanimidamide;hydrochloride
SMILESCl.[H]/N=C(\N)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C9H11ClN2O.ClH/c1-6(9(11)12)13-8-4-2-3-7(10)5-8;/h2-6H,1H3,(H3,11,12);1H
InChIKeyRWTYVHSDHHDECI-UHFFFAOYSA-N
XLogP2.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[3-(methoxymethyl)phenoxy]propanimidamide
CID 63984205
2-(4-chloro-3-fluorophenoxy)propanimidamide
CID 82716648
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
2-(3-chlorophenoxy)-1-(5-methylthiophen-2-yl)propan-1-one
CID 105111629
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)propanimidamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenoxy)propanimidamide;hydrochloride (CID 160750726) is 2-(3-chlorophenoxy)propanimidamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenoxy)propanimidamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenoxy)propanimidamide;hydrochloride is Cl.[H]/N=C(\N)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)propanimidamide;hydrochloride?
The InChIKey is RWTYVHSDHHDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c1-6(9(11)12)13-8-4-2-3-7(10)5-8;/h2-6H,1H3,(H3,11,12);1H.
What are the key properties of 2-(3-chlorophenoxy)propanimidamide;hydrochloride?
2-(3-chlorophenoxy)propanimidamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)propanimidamide;hydrochloride is sourced from PubChem (CID 160750726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).