1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine

C13H19ClFNO — CID 105044732

IUPAC1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1c(F)cccc1Cl)C(C)CCOC
InChIInChI=1S/C13H19ClFNO/c1-9(7-8-17-3)13(16-2)12-10(14)5-4-6-11(12)15/h4-6,9,13,16H,7-8H2,1-3H3
InChIKeyFNFSBHDHYREBPC-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine

1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine (PubChem CID 105044732) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
PubChem CID105044732
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
SMILESCNC(c1c(F)cccc1Cl)C(C)CCOC
InChIInChI=1S/C13H19ClFNO/c1-9(7-8-17-3)13(16-2)12-10(14)5-4-6-11(12)15/h4-6,9,13,16H,7-8H2,1-3H3
InChIKeyFNFSBHDHYREBPC-UHFFFAOYSA-N
XLogP3.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chloro-6-fluorophenyl)-2-methylbutyl]hydrazine
CID 105325664
1-(2-chloro-6-fluorophenyl)-2-methyl-N-propylbutan-1-amine
CID 105017578
1-(2-chloro-6-fluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62774538
1-(5-chloro-2-methylphenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044504
1-(2-chloro-6-fluorophenyl)-3-(2-methoxyethoxy)propan-1-ol
CID 114275160
1-(2,6-difluorophenyl)-2-(4-methoxybutan-2-ylamino)ethanol
CID 64603633
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103032302
1-(2-chlorophenyl)-3-methoxy-N-methylpropan-1-amine
CID 61412300
1-[2-(difluoromethoxy)phenyl]-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044561
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
1-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-N-propan-2-ylethane-1,2-diamine
CID 82948279
4-(2-chloro-6-fluorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64665475

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine (CID 105044732) is 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine is CNC(c1c(F)cccc1Cl)C(C)CCOC.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
The InChIKey is FNFSBHDHYREBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-9(7-8-17-3)13(16-2)12-10(14)5-4-6-11(12)15/h4-6,9,13,16H,7-8H2,1-3H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine?
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine has a molecular weight of 259.75 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105044732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).