1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine

C16H17ClFNO — CID 61496605

IUPAC1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-13(8-6-12)20-10-14-15(17)3-2-4-16(14)18/h2-8,11H,9-10,19H2,1H3
InChIKeyRRQDVAJVKPEWPU-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine (PubChem CID 61496605) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
PubChem CID61496605
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-13(8-6-12)20-10-14-15(17)3-2-4-16(14)18/h2-8,11H,9-10,19H2,1H3
InChIKeyRRQDVAJVKPEWPU-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
1-[4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 102855814
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-N-methylpropan-2-amine
CID 115494711
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine (CID 61496605) is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine is CC(N)Cc1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine?
The InChIKey is RRQDVAJVKPEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(19)9-12-5-7-13(8-6-12)20-10-14-15(17)3-2-4-16(14)18/h2-8,11H,9-10,19H2,1H3.
What are the key properties of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine?
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine has a molecular weight of 293.77 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine is sourced from PubChem (CID 61496605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).