1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine

C18H22FNO — CID 43485711

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc(F)ccc1OC
InChIInChI=1S/C18H22FNO/c1-4-15(13-8-6-5-7-9-13)18(20-2)16-12-14(19)10-11-17(16)21-3/h5-12,15,18,20H,4H2,1-3H3
InChIKeyQLEGKDKYXNWXOQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.29
Rot. Bonds6

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 43485711) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID43485711
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cc(F)ccc1OC
InChIInChI=1S/C18H22FNO/c1-4-15(13-8-6-5-7-9-13)18(20-2)16-12-14(19)10-11-17(16)21-3/h5-12,15,18,20H,4H2,1-3H3
InChIKeyQLEGKDKYXNWXOQ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)-2-phenylbutan-1-ol
CID 61086906
2-[(5-fluoro-2-methoxyphenyl)-(methylamino)methyl]butanoic acid
CID 116959679
1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 106647998
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-amine
CID 105024997
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
2-[1-[3-(2,5-dimethoxyphenyl)-2-phenylpentoxy]-2-phenylpentan-3-yl]-1,4-dimethoxybenzene
CID 70548044
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine (CID 43485711) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is QLEGKDKYXNWXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-15(13-8-6-5-7-9-13)18(20-2)16-12-14(19)10-11-17(16)21-3/h5-12,15,18,20H,4H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 43485711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).