N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine

C13H20FNO — CID 104791777

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-4-10(2)8-15-9-11-6-5-7-12(16-3)13(11)14/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyLYUWRMMMCZDTRT-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.97
Rot. Bonds6

About N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine

N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine (PubChem CID 104791777) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
PubChem CID104791777
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cccc(OC)c1F
InChIInChI=1S/C13H20FNO/c1-4-10(2)8-15-9-11-6-5-7-12(16-3)13(11)14/h5-7,10,15H,4,8-9H2,1-3H3
InChIKeyLYUWRMMMCZDTRT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-methoxyphenyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 104791736
(2R)-N-[(2-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 28612668
3-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]hexan-1-ol
CID 106115405
N-[(2-fluoro-3-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 104791514
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
N-[(2-fluoro-3-methoxyphenyl)methyl]prop-2-en-1-amine
CID 104791408
N-chloro-1-(2-fluoro-3-methoxyphenyl)methanamine
CID 89169985
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2,2,3,3-tetrafluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 106291983
1-(4-ethylphenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791622
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
N-[(2-fluoro-3-methoxyphenyl)methyl]pent-1-yn-3-amine
CID 106229407

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine (CID 104791777) is N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine is CCC(C)CNCc1cccc(OC)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is LYUWRMMMCZDTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-10(2)8-15-9-11-6-5-7-12(16-3)13(11)14/h5-7,10,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 104791777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).