4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine

C13H18ClF2NO — CID 103392697

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H18ClF2NO/c1-18-9-13(16,6-3-7-17)8-10-4-2-5-11(15)12(10)14/h2,4-5H,3,6-9,17H2,1H3
InChIKeyFQJGWVIZQHNMNU-UHFFFAOYSA-N
MW277.74 g/mol
LogP3.12
Rot. Bonds7

About 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine

4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392697) has the molecular formula C13H18ClF2NO and a molecular weight of 277.74 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392697
Molecular FormulaC13H18ClF2NO
Molecular Weight277.74 g/mol
Exact Mass277.10
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)Cc1cccc(F)c1Cl
InChIInChI=1S/C13H18ClF2NO/c1-18-9-13(16,6-3-7-17)8-10-4-2-5-11(15)12(10)14/h2,4-5H,3,6-9,17H2,1H3
InChIKeyFQJGWVIZQHNMNU-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluorophenyl)-2-(methoxymethyl)butan-2-amine
CID 112653223
2-[(2-chloro-3-fluorophenyl)methyl]-2-methylbut-3-en-1-amine
CID 102640347
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
3-(2-chloro-3-fluorophenyl)-2,2-difluoropropanoic acid
CID 162738183
2-[(2-chloro-3-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbut-3-en-1-amine
CID 102641690
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
1-[2,2-bis(chloromethyl)pentyl]-2-chloro-3-fluorobenzene
CID 112654957
5-amino-1-(2-chlorophenyl)-2-(methoxymethyl)pentan-2-ol
CID 103391426
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
4-fluoro-4-(methoxymethyl)-5-(1,3-thiazol-5-yl)pentan-1-amine
CID 103392640
4,8,8,8-tetrafluoro-4-(methoxymethyl)octan-1-amine
CID 103392538

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine (CID 103392697) is 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)Cc1cccc(F)c1Cl.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is FQJGWVIZQHNMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF2NO/c1-18-9-13(16,6-3-7-17)8-10-4-2-5-11(15)12(10)14/h2,4-5H,3,6-9,17H2,1H3.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine?
4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 277.74 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).