(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide

C19H24N2O2 — CID 6341030

IUPAC(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
SMILESCOc1ccc(CC/N=C(\N)[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O2/c1-14(16-7-5-4-6-8-16)19(20)21-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21)/t14-/m1/s1
InChIKeyHIOYAHWBPJRPHG-CQSZACIVSA-N
MW312.41 g/mol
LogP3.41
Rot. Bonds7

About (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide

(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide (PubChem CID 6341030) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide.

Molecular Properties

Compound Name(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
PubChem CID6341030
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide
SMILESCOc1ccc(CC/N=C(\N)[C@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O2/c1-14(16-7-5-4-6-8-16)19(20)21-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21)/t14-/m1/s1
InChIKeyHIOYAHWBPJRPHG-CQSZACIVSA-N
XLogP3.41
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

benzyl N'-[2-(3,4-dimethoxyphenyl)ethyl]carbamimidothioate
CID 8773671
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-[2-(3,4-dimethoxyphenyl)ethyl]propan-2-imine
CID 10857049
(2S)-2-[4-(2-methylpropyl)phenyl]-N'-(2-phenylethyl)propanimidamide
CID 6984096
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydrochloride
CID 11358539
(1R)-4-(3,4-dimethoxyphenyl)-1-phenylbutan-1-amine
CID 174421417
1-tert-butyl-2-[2-(3,4-dimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 110912009
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenoxyethyl)guanidine;hydroiodide
CID 111028429
(1R,2S)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467405
(1S,2R)-2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenylpropan-1-ol
CID 125467402
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046099
N'-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentanecarboximidamide
CID 63173820

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide?
The IUPAC name of (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide (CID 6341030) is (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide.
What is the SMILES notation for (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide?
The canonical SMILES for (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide is COc1ccc(CC/N=C(\N)[C@H](C)c2ccccc2)cc1OC.
What is the InChIKey of (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide?
The InChIKey is HIOYAHWBPJRPHG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(16-7-5-4-6-8-16)19(20)21-12-11-15-9-10-17(22-2)18(13-15)23-3/h4-10,13-14H,11-12H2,1-3H3,(H2,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide?
(2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide has a molecular weight of 312.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanimidamide is sourced from PubChem (CID 6341030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).