1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine

C16H18ClFN2O — CID 79790836

IUPAC1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C16H18ClFN2O/c1-2-11(19)8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11H,2,8,10,19H2,1H3
InChIKeyDHLFTHQEGHHFSY-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.73
Rot. Bonds6

About 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine

1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine (PubChem CID 79790836) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
PubChem CID79790836
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1
InChIInChI=1S/C16H18ClFN2O/c1-2-11(19)8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11H,2,8,10,19H2,1H3
InChIKeyDHLFTHQEGHHFSY-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 61495804
1-[5-[(3-chlorophenyl)methoxy]-2-pyridinyl]butan-2-amine
CID 79795411
1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 61496605
methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;dihydrochloride
CID 141018466
(1R)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethanamine
CID 63367550
hydron;methyl (2S)-2-amino-3-[5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propanoate;hydrochloride
CID 173217229
1-(5-butoxy-2-pyridinyl)butan-2-amine
CID 79796005
1-(5-propoxy-2-pyridinyl)butan-2-amine
CID 79795245
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]butan-1-ol
CID 178141121
1-[5-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 114857523
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
3-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 170874555

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The IUPAC name of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine (CID 79790836) is 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine is CCC(N)Cc1ccc(OCc2c(F)cccc2Cl)cn1.
What is the InChIKey of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
The InChIKey is DHLFTHQEGHHFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-2-11(19)8-12-6-7-13(9-20-12)21-10-14-15(17)4-3-5-16(14)18/h3-7,9,11H,2,8,10,19H2,1H3.
What are the key properties of 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine?
1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine has a molecular weight of 308.78 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-pyridinyl]butan-2-amine is sourced from PubChem (CID 79790836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).