2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine

C14H22FNO — CID 104794588

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
SMILESCOc1cccc(CC(CN)CC(C)C)c1F
InChIInChI=1S/C14H22FNO/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyBYBDLJNHBRSCSH-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.00
Rot. Bonds6

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine (PubChem CID 104794588) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
PubChem CID104794588
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
SMILESCOc1cccc(CC(CN)CC(C)C)c1F
InChIInChI=1S/C14H22FNO/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11H,7-9,16H2,1-3H3
InChIKeyBYBDLJNHBRSCSH-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955
2-[(4-bromophenyl)methyl]-3-(2-fluoro-3-methoxyphenyl)propan-1-amine
CID 104794595
3-(2-fluoro-3-methoxyphenyl)-2-phenylpropan-1-amine
CID 82812600
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-3-amine
CID 104792686
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105035477
[1-(2-fluoro-3-methoxyphenyl)-3-methylpentan-2-yl]hydrazine
CID 105219814
2-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 115984180
1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
CID 104792687
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine (CID 104794588) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine is COc1cccc(CC(CN)CC(C)C)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine?
The InChIKey is BYBDLJNHBRSCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11H,7-9,16H2,1-3H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine?
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 104794588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).