N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide

C18H24N4O2 — CID 156522412

IUPACN,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
SMILESCOc1cccc(C/C(=N/N)N(N)CCc2ccccc2)c1OC
InChIInChI=1S/C18H24N4O2/c1-23-16-10-6-9-15(18(16)24-2)13-17(21-19)22(20)12-11-14-7-4-3-5-8-14/h3-10H,11-13,19-20H2,1-2H3/b21-17-
InChIKeyHFYRHMFPWKOLBV-FXBPSFAMSA-N
MW328.42 g/mol
LogP1.94
Rot. Bonds7

About N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide

N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide (PubChem CID 156522412) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
PubChem CID156522412
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
SMILESCOc1cccc(C/C(=N/N)N(N)CCc2ccccc2)c1OC
InChIInChI=1S/C18H24N4O2/c1-23-16-10-6-9-15(18(16)24-2)13-17(21-19)22(20)12-11-14-7-4-3-5-8-14/h3-10H,11-13,19-20H2,1-2H3/b21-17-
InChIKeyHFYRHMFPWKOLBV-FXBPSFAMSA-N
XLogP1.94
TPSA86.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.94
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

(2,6-dimethoxyphenyl) 2-[methyl(2-phenylethyl)amino]propanoate
CID 57296418
2-phenylethyl 3-(2,3-dimethoxyphenyl)propanoate
CID 66702130
1-N,7-N-bis[2-(2,3-dimethoxyphenyl)ethyl]-1-N,4-N,7-N,3-tetramethyl-4-N-(2-phenylethyl)heptane-1,4,7-triamine
CID 173253979
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
2-[(2-methoxyphenyl)methyl-(2-phenylethyl)amino]ethanol
CID 110932203
1-[2-(2,3-dimethoxyphenyl)ethyl]-1-methylurea
CID 3052715
3-(2,6-dimethoxyphenyl)-2-[methyl(2-phenylethyl)amino]propanoic acid
CID 90704143
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670
N-(2-aminoethyl)-2-(2,6-dimethoxyphenyl)-N-(2-phenylethyl)acetamide
CID 120885592
1,2,3,4-tetramethoxy-5-(2-phenylethyl)benzene
CID 174438503
(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
CID 144642375

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide?
The IUPAC name of N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide (CID 156522412) is N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide.
What is the SMILES notation for N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide?
The canonical SMILES for N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide is COc1cccc(C/C(=N/N)N(N)CCc2ccccc2)c1OC.
What is the InChIKey of N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide?
The InChIKey is HFYRHMFPWKOLBV-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-23-16-10-6-9-15(18(16)24-2)13-17(21-19)22(20)12-11-14-7-4-3-5-8-14/h3-10H,11-13,19-20H2,1-2H3/b21-17-.
What are the key properties of N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide?
N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide has a molecular weight of 328.42 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide is sourced from PubChem (CID 156522412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).