2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine

C14H22FNO — CID 112566938

IUPAC2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(C)cc1CC(F)(CN)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(15,9-16)8-12-7-11(3)5-6-13(12)17-4/h5-7,10H,8-9,16H2,1-4H3
InChIKeyHPICWXJQCOCGON-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.87
Rot. Bonds5

About 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine

2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine (PubChem CID 112566938) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
PubChem CID112566938
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine
SMILESCOc1ccc(C)cc1CC(F)(CN)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(15,9-16)8-12-7-11(3)5-6-13(12)17-4/h5-7,10H,8-9,16H2,1-4H3
InChIKeyHPICWXJQCOCGON-UHFFFAOYSA-N
XLogP2.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566819
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
3-(2-methoxy-5-methylphenyl)-2-methyl-2-phenylpropan-1-amine
CID 82141632
methyl 2-(aminomethyl)-3-(2-methoxy-5-methylphenyl)-2-methylpropanoate
CID 106487848
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
CID 83153060
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112
4,4,4-trifluoro-1-(2-methoxy-5-methylphenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311787
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
3-(5-bromo-2-methoxyphenyl)-2-fluoro-2-methylpropan-1-amine
CID 112565229
N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine (CID 112566938) is 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine is COc1ccc(C)cc1CC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine?
The InChIKey is HPICWXJQCOCGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)14(15,9-16)8-12-7-11(3)5-6-13(12)17-4/h5-7,10H,8-9,16H2,1-4H3.
What are the key properties of 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine?
2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 112566938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).