N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine

C13H20FNO — CID 115641936

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-4-12(9-16-3)15-8-11-7-10(2)5-6-13(11)14/h5-7,12,15H,4,8-9H2,1-3H3
InChIKeyNCEABDWIVCYVAD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine

N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine (PubChem CID 115641936) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine
PubChem CID115641936
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine
SMILESCCC(COC)NCc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-4-12(9-16-3)15-8-11-7-10(2)5-6-13(11)14/h5-7,12,15H,4,8-9H2,1-3H3
InChIKeyNCEABDWIVCYVAD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]hex-5-yn-3-amine
CID 115654923
N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 115632231
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526
N-[(3-bromo-2,6-difluorophenyl)methyl]-1-methoxybutan-2-amine
CID 114165683
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
N-[(2,5-difluorophenyl)methyl]hexan-3-amine
CID 62119463
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylhexan-2-amine
CID 113237519
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
4-fluoro-3-[[(4-hydroxy-1-methoxybutan-2-yl)amino]methyl]benzonitrile
CID 106159598
N-[(5-chloro-2-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899865
3-[(2-fluoro-5-methylphenyl)methylamino]butanenitrile
CID 104586862

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine (CID 115641936) is N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine is CCC(COC)NCc1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine?
The InChIKey is NCEABDWIVCYVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-12(9-16-3)15-8-11-7-10(2)5-6-13(11)14/h5-7,12,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine is sourced from PubChem (CID 115641936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).