N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine

C14H21F2NO2 — CID 115600224

IUPACN-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-18-9-10-19-8-3-2-7-17-11-12-13(15)5-4-6-14(12)16/h4-6,17H,2-3,7-11H2,1H3
InChIKeyLSKMBQXHGHJJGJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.50
Rot. Bonds10

About N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine

N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine (PubChem CID 115600224) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
PubChem CID115600224
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
SMILESCOCCOCCCCNCc1c(F)cccc1F
InChIInChI=1S/C14H21F2NO2/c1-18-9-10-19-8-3-2-7-17-11-12-13(15)5-4-6-14(12)16/h4-6,17H,2-3,7-11H2,1H3
InChIKeyLSKMBQXHGHJJGJ-UHFFFAOYSA-N
XLogP2.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dimethylphenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 115897809
2,6-difluoro-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115680060
3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
2-[2-[(2,6-difluorophenyl)methylamino]ethoxy]ethanol
CID 28727255
N-[(2-chloro-5-fluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 102615947
N-[(2,6-difluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923249
3-chloro-N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-1-amine
CID 106242412
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
4-(2-methoxyethoxy)-N-[(4-propan-2-ylphenyl)methyl]butan-1-amine
CID 115600157
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
1-[[3-(2-methoxyethoxy)propylamino]methyl]naphthalen-2-ol
CID 28720750

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine (CID 115600224) is N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine is COCCOCCCCNCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
The InChIKey is LSKMBQXHGHJJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-18-9-10-19-8-3-2-7-17-11-12-13(15)5-4-6-14(12)16/h4-6,17H,2-3,7-11H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine?
N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-(2-methoxyethoxy)butan-1-amine is sourced from PubChem (CID 115600224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).