1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine

C18H22FNO — CID 105122506

IUPAC1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
SMILESCOc1ccc(CC(N)CCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16H,7,9,11,20H2,1-2H3
InChIKeyYWRIQUNPDXMUNY-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.65
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine

1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine (PubChem CID 105122506) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
PubChem CID105122506
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine
SMILESCOc1ccc(CC(N)CCc2ccc(C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16H,7,9,11,20H2,1-2H3
InChIKeyYWRIQUNPDXMUNY-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-4-pyridin-4-ylbutan-2-amine
CID 105122524
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-ol
CID 105084500
1-(3-fluoro-4-methoxyphenyl)-5-phenylpentan-2-amine
CID 105122085
1-(3-fluoro-4-methoxyphenyl)-4-pyridin-3-ylbutan-2-amine
CID 105122507
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
1-(3-fluoro-4-methoxyphenyl)-3-(3-methylphenyl)propan-2-amine
CID 62604498
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 63889804
1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
[2-(3-fluoro-4-methoxyphenyl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194332
1-(4-chloro-3-fluorophenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 107892055

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine (CID 105122506) is 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine is COc1ccc(CC(N)CCc2ccc(C)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine?
The InChIKey is YWRIQUNPDXMUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-13-3-5-14(6-4-13)7-9-16(20)11-15-8-10-18(21-2)17(19)12-15/h3-6,8,10,12,16H,7,9,11,20H2,1-2H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine?
1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-4-(4-methylphenyl)butan-2-amine is sourced from PubChem (CID 105122506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).