2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

C16H17ClFNO — CID 114348483

IUPAC2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccc(CCN)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11-8-14(18)4-3-13(11)10-20-16-5-2-12(6-7-19)9-15(16)17/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyICLGDPJALTZODM-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.87
Rot. Bonds5

About 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine

2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (PubChem CID 114348483) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
PubChem CID114348483
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
SMILESCc1cc(F)ccc1COc1ccc(CCN)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-11-8-14(18)4-3-13(11)10-20-16-5-2-12(6-7-19)9-15(16)17/h2-5,8-9H,6-7,10,19H2,1H3
InChIKeyICLGDPJALTZODM-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

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Related Compounds

2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
[3-chloro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 105370190
2-[3-chloro-4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794314
[3-chloro-4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 102663556
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3,5-dimethylphenyl]ethanamine
CID 114348464
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methanamine
CID 102615201
2-[2-[(2-chloro-4-fluorophenoxy)methyl]phenyl]ethanamine
CID 115464688
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
1-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 114345847
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine (CID 114348483) is 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is Cc1cc(F)ccc1COc1ccc(CCN)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
The InChIKey is ICLGDPJALTZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11-8-14(18)4-3-13(11)10-20-16-5-2-12(6-7-19)9-15(16)17/h2-5,8-9H,6-7,10,19H2,1H3.
What are the key properties of 2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine?
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]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-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 114348483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).