1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

C18H27N3O2 — CID 119110968

IUPAC1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(NCc2ncc[nH]2)C(C)C)cc1OCC
InChIInChI=1S/C18H27N3O2/c1-5-22-15-8-7-14(11-16(15)23-6-2)18(13(3)4)21-12-17-19-9-10-20-17/h7-11,13,18,21H,5-6,12H2,1-4H3,(H,19,20)
InChIKeyNIUOPFLSOIZVDU-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.69
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine

1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (PubChem CID 119110968) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
PubChem CID119110968
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(NCc2ncc[nH]2)C(C)C)cc1OCC
InChIInChI=1S/C18H27N3O2/c1-5-22-15-8-7-14(11-16(15)23-6-2)18(13(3)4)21-12-17-19-9-10-20-17/h7-11,13,18,21H,5-6,12H2,1-4H3,(H,19,20)
InChIKeyNIUOPFLSOIZVDU-UHFFFAOYSA-N
XLogP3.69
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethanamine
CID 119111306
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119696392
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
4-[1-(1H-imidazol-2-ylmethylamino)ethyl]phenol
CID 64547217
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64535611
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
N-(1H-imidazol-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 54976562
2-amino-N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]pentanamide
CID 119274983
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-2-methylbenzamide
CID 46649898

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine (CID 119110968) is 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is CCOc1ccc(C(NCc2ncc[nH]2)C(C)C)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is NIUOPFLSOIZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-22-15-8-7-14(11-16(15)23-6-2)18(13(3)4)21-12-17-19-9-10-20-17/h7-11,13,18,21H,5-6,12H2,1-4H3,(H,19,20).
What are the key properties of 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine?
1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 317.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 119110968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).