1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine

C13H20FNO — CID 116715348

IUPAC1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-5-12(16-4)13(15-3)10-8-9(2)6-7-11(10)14/h6-8,12-13,15H,5H2,1-4H3
InChIKeyAYJRMRPINGFSEB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.82
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine

1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine (PubChem CID 116715348) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
PubChem CID116715348
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1cc(C)ccc1F
InChIInChI=1S/C13H20FNO/c1-5-12(16-4)13(15-3)10-8-9(2)6-7-11(10)14/h6-8,12-13,15H,5H2,1-4H3
InChIKeyAYJRMRPINGFSEB-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 106881987
2-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 116718746
2-methoxy-N-methyl-1-(4-methyl-3-pyridinyl)butan-1-amine
CID 116715414
[2-ethoxy-1-(2-fluoro-5-methylphenyl)pentyl]hydrazine
CID 105271295
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
(1R)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171204039
1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
methyl 3-amino-3-(2-fluoro-5-methylphenyl)propanoate
CID 103846565
1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082
1-(2-fluoro-5-methylphenyl)-N-methylhexan-1-amine
CID 115837280
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
CID 105270622

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine (CID 116715348) is 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine is CCC(OC)C(NC)c1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine?
The InChIKey is AYJRMRPINGFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-5-12(16-4)13(15-3)10-8-9(2)6-7-11(10)14/h6-8,12-13,15H,5H2,1-4H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine?
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 116715348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).