N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine

C14H22FN — CID 103460526

IUPACN-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3
InChIKeyFCNUAQSAWAYBIY-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine

N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine (PubChem CID 103460526) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
PubChem CID103460526
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNC(C)c1cccc(F)c1
InChIInChI=1S/C14H22FN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3
InChIKeyFCNUAQSAWAYBIY-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192144
N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460838
2,2,3,3-tetrafluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 112741217
2-[1-(3-fluorophenyl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
CID 60674328
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460624
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-[1-(3-fluorophenyl)ethyl]octan-1-amine
CID 43085696
(1R)-N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 81364829
N-(2-ethylsulfonylethyl)-1-(3-fluorophenyl)ethanamine
CID 54964315
4-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248124
2,2-dimethyl-N-(1-pyridin-4-ylethyl)butan-1-amine
CID 103460442
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine (CID 103460526) is N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine is CCC(C)(C)CNC(C)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
The InChIKey is FCNUAQSAWAYBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-14(3,4)10-16-11(2)12-7-6-8-13(15)9-12/h6-9,11,16H,5,10H2,1-4H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine?
N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine has a molecular weight of 223.34 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 103460526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).