2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine

C12H18FNO — CID 62353436

IUPAC2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Oc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-4-12(2,9-14-3)15-11-7-5-10(13)6-8-11/h5-8,14H,4,9H2,1-3H3
InChIKeyATHODPWJMWJWGS-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.59
Rot. Bonds5

About 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine

2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine (PubChem CID 62353436) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
PubChem CID62353436
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine
SMILESCCC(C)(CNC)Oc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-4-12(2,9-14-3)15-11-7-5-10(13)6-8-11/h5-8,14H,4,9H2,1-3H3
InChIKeyATHODPWJMWJWGS-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-2-[4-(4-methylphenyl)phenoxy]butan-1-amine
CID 63489021
2-(3-chloro-4-fluorophenoxy)-N,2-dimethylbutan-1-amine
CID 63878844
N,2-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62353843
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
2-methyl-N-propyl-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354231
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
2-(2,5-dimethylphenoxy)-N,2-dimethylbutan-1-amine
CID 62352480
2-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62353829
2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
CID 63273363
2-(4-tert-butylphenoxy)-N,2-dimethylpropan-1-amine
CID 62354404
1,1,1,3,3,3-hexafluoro-2-(4-fluorophenoxy)-N-methylpropan-2-amine
CID 144882273
N,2-dimethyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62353838

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine (CID 62353436) is 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine is CCC(C)(CNC)Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine?
The InChIKey is ATHODPWJMWJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-12(2,9-14-3)15-11-7-5-10(13)6-8-11/h5-8,14H,4,9H2,1-3H3.
What are the key properties of 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine?
2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 62353436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).