1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine

C16H17F2NO — CID 61077993

IUPAC1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO/c1-11-4-2-3-5-13(11)10-15(19)12-6-8-14(9-7-12)20-16(17)18/h2-9,15-16H,10,19H2,1H3
InChIKeyAGWKUQRKIXBNBU-UHFFFAOYSA-N
MW277.31 g/mol
LogP3.84
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine

1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine (PubChem CID 61077993) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine
PubChem CID61077993
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CC(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H17F2NO/c1-11-4-2-3-5-13(11)10-15(19)12-6-8-14(9-7-12)20-16(17)18/h2-9,15-16H,10,19H2,1H3
InChIKeyAGWKUQRKIXBNBU-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-fluorophenyl)-1-[4-(difluoromethoxy)phenyl]ethanamine
CID 103053140
1-[3-(difluoromethoxy)phenyl]-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051297
(1R)-1-(3,4-dimethoxyphenyl)-2-(2-methylphenyl)ethanamine
CID 42058451
ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
1-(2,6-difluorophenyl)-2-(2-methylphenyl)ethanamine
CID 61078898
2-[4-(difluoromethoxy)phenyl]-N-[(2-methylphenyl)methyl]acetamide
CID 33181859
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylphenyl)ethanamine
CID 43115557
1-(4-ethoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 105140845
(1R)-1-[4-(difluoromethoxy)phenyl]pentane-1,5-diamine
CID 171206167
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]propanamide
CID 29059969
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine (CID 61077993) is 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CC(N)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is AGWKUQRKIXBNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11-4-2-3-5-13(11)10-15(19)12-6-8-14(9-7-12)20-16(17)18/h2-9,15-16H,10,19H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine?
1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 277.31 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 61077993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).