N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

C17H23F2N3O2 — CID 119122574

IUPACN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCOc1cccc(CNCC(C)Cn2ccnc2C)c1OC(F)F
InChIInChI=1S/C17H23F2N3O2/c1-12(11-22-8-7-21-13(22)2)9-20-10-14-5-4-6-15(23-3)16(14)24-17(18)19/h4-8,12,17,20H,9-11H2,1-3H3
InChIKeyWUGXBCUFOPSZJH-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.23
Rot. Bonds9

About N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine

N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (PubChem CID 119122574) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
PubChem CID119122574
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
SMILESCOc1cccc(CNCC(C)Cn2ccnc2C)c1OC(F)F
InChIInChI=1S/C17H23F2N3O2/c1-12(11-22-8-7-21-13(22)2)9-20-10-14-5-4-6-15(23-3)16(14)24-17(18)19/h4-8,12,17,20H,9-11H2,1-3H3
InChIKeyWUGXBCUFOPSZJH-UHFFFAOYSA-N
XLogP3.23
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(2-methylimidazol-1-yl)-N-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 119122449
4-[[2-(difluoromethoxy)-3-methoxyphenyl]methylamino]-3-methylbutan-1-ol
CID 66089640
2-methyl-3-(2-methylimidazol-1-yl)-N-[(2,4,6-trimethoxyphenyl)methyl]propan-1-amine
CID 119122577
N-[(4-fluorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122506
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122572
4-methoxy-1-[2-(2-methylimidazol-1-yl)ethyl]indole
CID 83173718
2-methyl-3-(2-methylimidazol-1-yl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 119122493
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122434
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122490
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 43406252
2-methyl-3-(2-methylimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 119122377

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine (CID 119122574) is N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is COc1cccc(CNCC(C)Cn2ccnc2C)c1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
The InChIKey is WUGXBCUFOPSZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-12(11-22-8-7-21-13(22)2)9-20-10-14-5-4-6-15(23-3)16(14)24-17(18)19/h4-8,12,17,20H,9-11H2,1-3H3.
What are the key properties of N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine?
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine has a molecular weight of 339.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 119122574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).