2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

C16H17ClFNO — CID 82051709

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11-9-12(7-8-19)5-6-16(11)20-10-13-14(17)3-2-4-15(13)18/h2-6,9H,7-8,10,19H2,1H3
InChIKeyQCHNQCMVKYEVRT-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.87
Rot. Bonds5

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine

2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (PubChem CID 82051709) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
PubChem CID82051709
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
SMILESCc1cc(CCN)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11-9-12(7-8-19)5-6-16(11)20-10-13-14(17)3-2-4-15(13)18/h2-6,9H,7-8,10,19H2,1H3
InChIKeyQCHNQCMVKYEVRT-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-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

3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
2-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692529
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 170878344
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine (CID 82051709) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is Cc1cc(CCN)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
The InChIKey is QCHNQCMVKYEVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11-9-12(7-8-19)5-6-16(11)20-10-13-14(17)3-2-4-15(13)18/h2-6,9H,7-8,10,19H2,1H3.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine has a molecular weight of 293.77 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine is sourced from PubChem (CID 82051709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).