1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine

C18H22FNO — CID 82541755

IUPAC1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine
SMILESCOc1ccc(-c2ccc(CC(N)C(C)C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-12(2)17(20)10-13-4-6-14(7-5-13)15-8-9-18(21-3)16(19)11-15/h4-9,11-12,17H,10,20H2,1-3H3
InChIKeyGGZZIYUVTWHNDF-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.03
Rot. Bonds5

About 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine

1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine (PubChem CID 82541755) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine
PubChem CID82541755
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine
SMILESCOc1ccc(-c2ccc(CC(N)C(C)C)cc2)cc1F
InChIInChI=1S/C18H22FNO/c1-12(2)17(20)10-13-4-6-14(7-5-13)15-8-9-18(21-3)16(19)11-15/h4-9,11-12,17H,10,20H2,1-3H3
InChIKeyGGZZIYUVTWHNDF-UHFFFAOYSA-N
XLogP4.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
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1-(3-fluoro-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105122103
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
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CID 170892877
1-(3-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-2-amine
CID 62605642
[6-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]methanamine
CID 83918620
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(5-chloro-2-methoxyphenyl)-3-methylbutan-2-amine
CID 62602017
(2S)-1-[4-fluoro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-amine
CID 125466344
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine?
The IUPAC name of 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine (CID 82541755) is 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine.
What is the SMILES notation for 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine?
The canonical SMILES for 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine is COc1ccc(-c2ccc(CC(N)C(C)C)cc2)cc1F.
What is the InChIKey of 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine?
The InChIKey is GGZZIYUVTWHNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-12(2)17(20)10-13-4-6-14(7-5-13)15-8-9-18(21-3)16(19)11-15/h4-9,11-12,17H,10,20H2,1-3H3.
What are the key properties of 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine?
1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine has a molecular weight of 287.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-methoxyphenyl)phenyl]-3-methylbutan-2-amine is sourced from PubChem (CID 82541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).