N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

C16H26FNO — CID 104628810

IUPACN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-12-6-7-14(10-15(12)17)13(2)18-11-16(3,4)8-9-19-5/h6-7,10,13,18H,8-9,11H2,1-5H3
InChIKeyXYQAWUWXVQPOFY-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.85
Rot. Bonds7

About N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine

N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104628810) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104628810
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-12-6-7-14(10-15(12)17)13(2)18-11-16(3,4)8-9-19-5/h6-7,10,13,18H,8-9,11H2,1-5H3
InChIKeyXYQAWUWXVQPOFY-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706
N-[1-(4-chlorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 113434200
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368956
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
tert-butyl N-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-methylpropan-2-yl]carbamate
CID 103788216
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[1-(2,3-difluorophenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628826
4-[1-(4-chloro-3-fluorophenyl)ethylamino]-3,3-dimethylbutan-1-ol
CID 113345013
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine (CID 104628810) is N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is XYQAWUWXVQPOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12-6-7-14(10-15(12)17)13(2)18-11-16(3,4)8-9-19-5/h6-7,10,13,18H,8-9,11H2,1-5H3.
What are the key properties of N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine?
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104628810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).