3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine

C16H17ClFNO — CID 170878344

IUPAC3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c17-14-7-3-8-15(18)13(14)11-20-16-9-2-1-5-12(16)6-4-10-19/h1-3,5,7-9H,4,6,10-11,19H2
InChIKeyASNYZHUMGZTPPF-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.95
Rot. Bonds6

About 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine

3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 170878344) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID170878344
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESNCCCc1ccccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C16H17ClFNO/c17-14-7-3-8-15(18)13(14)11-20-16-9-2-1-5-12(16)6-4-10-19/h1-3,5,7-9H,4,6,10-11,19H2
InChIKeyASNYZHUMGZTPPF-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170865688
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 170878755
(2R)-N-[[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]-4-phenylbutan-2-amine
CID 51990859
3-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866459
2-[(2-chloro-6-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76905309
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
[2-[(2,6-dichlorophenyl)methoxy]-5-fluorophenyl]methanamine
CID 107694925
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine (CID 170878344) is 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine is NCCCc1ccccc1OCc1c(F)cccc1Cl.
What is the InChIKey of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is ASNYZHUMGZTPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c17-14-7-3-8-15(18)13(14)11-20-16-9-2-1-5-12(16)6-4-10-19/h1-3,5,7-9H,4,6,10-11,19H2.
What are the key properties of 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170878344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).