N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine

C15H24FNO — CID 60697208

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(C)NCCC(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO/c1-11(17-9-8-15(2,3)4)12-6-7-14(18-5)13(16)10-12/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyFFNGUTPGLYDFGZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine (PubChem CID 60697208) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
PubChem CID60697208
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(C(C)NCCC(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO/c1-11(17-9-8-15(2,3)4)12-6-7-14(18-5)13(16)10-12/h6-7,10-11,17H,8-9H2,1-5H3
InChIKeyFFNGUTPGLYDFGZ-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239724
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628894
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-7-methyloctan-1-amine
CID 43100590
N-[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]ethyl]methanesulfonamide
CID 43208198
1-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 60976045
N'-ethyl-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 62635886
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylsulfanylbutan-1-amine
CID 115721453
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 115897048
(2R)-1-[1-(3-fluoro-4-methoxyphenyl)ethylamino]propan-2-ol
CID 103906950

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine (CID 60697208) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine is COc1ccc(C(C)NCCC(C)(C)C)cc1F.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is FFNGUTPGLYDFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-11(17-9-8-15(2,3)4)12-6-7-14(18-5)13(16)10-12/h6-7,10-11,17H,8-9H2,1-5H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.92, 5 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-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 60697208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).