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

C16H17ClFNO — CID 61495804

IUPAC1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3
InChIKeyOKGYWSQNAJFQOK-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.47
Rot. Bonds5

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

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 61495804) 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-1-amine.

Molecular Properties

Compound Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID61495804
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
SMILESCCC(N)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C16H17ClFNO/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3
InChIKeyOKGYWSQNAJFQOK-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
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
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol;hydrochloride
CID 170874554
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
(1S)-1-[4-[(3-bromo-2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 106262986
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79790836
N-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propylidene]hydroxylamine
CID 76999636
(1S)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-ol
CID 63532785
N-[[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 39443756
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
(1R)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2,2,2-trifluoroethanamine
CID 66510475

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine (CID 61495804) is 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine is CCC(N)c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is OKGYWSQNAJFQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-2-16(19)11-6-8-12(9-7-11)20-10-13-14(17)4-3-5-15(13)18/h3-9,16H,2,10,19H2,1H3.
What are the key properties of 1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine?
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 293.77 g/mol, XLogP of 4.47, 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-1-amine is sourced from PubChem (CID 61495804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).