N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide

C14H24ClN5O — CID 143906298

IUPACN'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
SMILESCOc1ccc(C(CCN(C)C)N(N)/N=C(/C)N)cc1Cl
InChIInChI=1S/C14H24ClN5O/c1-10(16)18-20(17)13(7-8-19(2)3)11-5-6-14(21-4)12(15)9-11/h5-6,9,13H,7-8,17H2,1-4H3,(H2,16,18)
InChIKeyXXWGXJLGNJITHL-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.81
Rot. Bonds7

About N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide

N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide (PubChem CID 143906298) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide.

Molecular Properties

Compound NameN'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
PubChem CID143906298
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC NameN'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide
SMILESCOc1ccc(C(CCN(C)C)N(N)/N=C(/C)N)cc1Cl
InChIInChI=1S/C14H24ClN5O/c1-10(16)18-20(17)13(7-8-19(2)3)11-5-6-14(21-4)12(15)9-11/h5-6,9,13H,7-8,17H2,1-4H3,(H2,16,18)
InChIKeyXXWGXJLGNJITHL-UHFFFAOYSA-N
XLogP1.81
TPSA80.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propan-1-ol
CID 83928505
2-chloro-1-(3-chloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116907396
1-(3-chloro-4-methoxyphenyl)-N,N-dipropylethane-1,2-diamine
CID 65021962
2-N-[2-amino-1-(3-chloro-4-methoxyphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188224
(2R)-2-amino-2-(3-chloro-4-methoxyphenyl)ethanol
CID 42579768
N'-[amino(methyl)amino]-3-chloro-4-methoxybenzenecarboximidamide
CID 143625648
5-amino-5-(3-chloro-4-methoxyphenyl)pentan-2-one
CID 116940666
5-amino-5-(3-chloro-4-methoxyphenyl)pentanamide
CID 54927664
1-(3-chloro-4-methoxyphenyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)ethane-1,2-diamine
CID 112658716
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]guanidine
CID 110884502
3-amino-3-(3-chloro-4-methoxyphenyl)-N,N-dimethylpropanamide
CID 116850280
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475

Frequently Asked Questions

What is the IUPAC name of N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide?
The IUPAC name of N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide (CID 143906298) is N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide.
What is the SMILES notation for N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide?
The canonical SMILES for N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide is COc1ccc(C(CCN(C)C)N(N)/N=C(/C)N)cc1Cl.
What is the InChIKey of N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide?
The InChIKey is XXWGXJLGNJITHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-10(16)18-20(17)13(7-8-19(2)3)11-5-6-14(21-4)12(15)9-11/h5-6,9,13H,7-8,17H2,1-4H3,(H2,16,18).
What are the key properties of N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide?
N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide has a molecular weight of 313.83 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[amino-[1-(3-chloro-4-methoxyphenyl)-3-(dimethylamino)propyl]amino]ethanimidamide is sourced from PubChem (CID 143906298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).