1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

C14H17F2N3O2 — CID 119109917

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cncn2C)cc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-19-9-18-8-11(19)7-17-6-10-3-4-12(20-2)13(5-10)21-14(15)16/h3-5,8-9,14,17H,6-7H2,1-2H3
InChIKeyZUKAXXMQUAIUJY-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.32
Rot. Bonds7

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine

1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (PubChem CID 119109917) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
PubChem CID119109917
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cncn2C)cc1OC(F)F
InChIInChI=1S/C14H17F2N3O2/c1-19-9-18-8-11(19)7-17-6-10-3-4-12(20-2)13(5-10)21-14(15)16/h3-5,8-9,14,17H,6-7H2,1-2H3
InChIKeyZUKAXXMQUAIUJY-UHFFFAOYSA-N
XLogP2.32
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 119123236
N-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-1-[3-(difluoromethoxy)-4-methoxyphenyl]methanamine
CID 78870383
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415003
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(thiophen-3-ylmethyl)methanamine
CID 60760352
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-ethylbutan-1-amine
CID 115581156
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392778
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,3,3-trifluoropropan-1-amine
CID 63226297
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylethanesulfonamide
CID 102674801
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]hexan-1-amine
CID 28512615
3-[[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]methyl]pentan-3-ol
CID 62058897
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-propan-2-yloxypropan-1-amine
CID 29044259
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735580

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine (CID 119109917) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is COc1ccc(CNCc2cncn2C)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
The InChIKey is ZUKAXXMQUAIUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-19-9-18-8-11(19)7-17-6-10-3-4-12(20-2)13(5-10)21-14(15)16/h3-5,8-9,14,17H,6-7H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine has a molecular weight of 297.31 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-N-[(3-methylimidazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119109917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).