N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine

C13H20FNO — CID 115632231

IUPACN-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-10-4-5-13(14)12(8-10)9-15-11(2)6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyUPHADCSBUKWVCL-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.65
Rot. Bonds6

About N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine

N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine (PubChem CID 115632231) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
PubChem CID115632231
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-10-4-5-13(14)12(8-10)9-15-11(2)6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3
InChIKeyUPHADCSBUKWVCL-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]-5-methylhexan-2-amine
CID 113237519
N-[(4-chloro-2-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 104854106
N-[(2-fluoro-5-methylphenyl)methyl]-1-methoxybutan-2-amine
CID 115641936
3-[(2-fluoro-5-methylphenyl)methylamino]butanenitrile
CID 104586862
N-[(2,6-difluorophenyl)methyl]-4-methoxybutan-2-amine
CID 64602570
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
4-chloro-N-[(5-chloro-2-fluorophenyl)methyl]butan-2-amine
CID 103050046
N-[(2-methoxy-5-methylphenyl)methyl]pentan-2-amine
CID 43406677
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
N-[(2-fluoro-5-methylphenyl)methyl]hex-5-yn-3-amine
CID 115654923
N-[(2-fluoro-5-methylphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 143626004

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine?
The IUPAC name of N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine (CID 115632231) is N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine.
What is the SMILES notation for N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine?
The canonical SMILES for N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine is COCCC(C)NCc1cc(C)ccc1F.
What is the InChIKey of N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine?
The InChIKey is UPHADCSBUKWVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-10-4-5-13(14)12(8-10)9-15-11(2)6-7-16-3/h4-5,8,11,15H,6-7,9H2,1-3H3.
What are the key properties of N-[(2-fluoro-5-methylphenyl)methyl]-4-methoxybutan-2-amine?
N-[(2-fluoro-5-methylphenyl)methyl]-4-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]-4-methoxybutan-2-amine is sourced from PubChem (CID 115632231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).