1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

C14H21F2NO — CID 116758076

IUPAC1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cc(F)cc(F)c1)C(C)(CC)OC
InChIInChI=1S/C14H21F2NO/c1-5-14(3,18-4)13(17-6-2)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyXHYQQGWRZPAAME-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.43
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine

1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (PubChem CID 116758076) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
PubChem CID116758076
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
SMILESCCNC(c1cc(F)cc(F)c1)C(C)(CC)OC
InChIInChI=1S/C14H21F2NO/c1-5-14(3,18-4)13(17-6-2)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3
InChIKeyXHYQQGWRZPAAME-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
[1-(3,5-difluorophenyl)-2-ethyl-2-methoxybutyl]hydrazine
CID 105275488
1-(3-fluorophenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757755
1-(3,5-dimethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758294
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758114
1-(3-cyclopropyloxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 114522301
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
1-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79704876
N-ethyl-2-methoxy-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 116758102
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116758051
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine (CID 116758076) is 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is CCNC(c1cc(F)cc(F)c1)C(C)(CC)OC.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
The InChIKey is XHYQQGWRZPAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-5-14(3,18-4)13(17-6-2)10-7-11(15)9-12(16)8-10/h7-9,13,17H,5-6H2,1-4H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine?
1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine has a molecular weight of 257.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 116758076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).