1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine

C14H18F2N4O — CID 105038760

IUPAC1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N4O/c1-3-7-20-12(9-18-19-20)13(17-2)10-5-4-6-11(8-10)21-14(15)16/h4-6,8-9,13-14,17H,3,7H2,1-2H3
InChIKeyZZIUCTTWEMTPBE-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.60
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine

1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine (PubChem CID 105038760) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
PubChem CID105038760
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
SMILESCCCn1nncc1C(NC)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H18F2N4O/c1-3-7-20-12(9-18-19-20)13(17-2)10-5-4-6-11(8-10)21-14(15)16/h4-6,8-9,13-14,17H,3,7H2,1-2H3
InChIKeyZZIUCTTWEMTPBE-UHFFFAOYSA-N
XLogP2.60
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-bromophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687111
1-[2-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038764
N-methyl-1-naphthalen-2-yl-1-(3-propyltriazol-4-yl)methanamine
CID 114687541
1-(4-methoxyphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114686853
1-(3,4-dichlorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688813
[[3-(difluoromethoxy)phenyl]-(3-methyltriazol-4-yl)methyl]hydrazine
CID 105337538
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114687190
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
1-(3-bromo-4-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 105038815
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688825
N-methyl-1-(3-propyltriazol-4-yl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 105038531
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine (CID 105038760) is 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine is CCCn1nncc1C(NC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
The InChIKey is ZZIUCTTWEMTPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-3-7-20-12(9-18-19-20)13(17-2)10-5-4-6-11(8-10)21-14(15)16/h4-6,8-9,13-14,17H,3,7H2,1-2H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine?
1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine has a molecular weight of 296.32 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-N-methyl-1-(3-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 105038760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).