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

C11H16FNO — CID 105450757

IUPAC4-fluoro-4-(3-methoxyphenyl)butan-2-amine
SMILESCOc1cccc(C(F)CC(C)N)c1
InChIInChI=1S/C11H16FNO/c1-8(13)6-11(12)9-4-3-5-10(7-9)14-2/h3-5,7-8,11H,6,13H2,1-2H3
InChIKeyGMRQOTRXDIFHCS-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.44
Rot. Bonds4

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

4-fluoro-4-(3-methoxyphenyl)butan-2-amine (PubChem CID 105450757) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-fluoro-4-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name4-fluoro-4-(3-methoxyphenyl)butan-2-amine
PubChem CID105450757
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-fluoro-4-(3-methoxyphenyl)butan-2-amine
SMILESCOc1cccc(C(F)CC(C)N)c1
InChIInChI=1S/C11H16FNO/c1-8(13)6-11(12)9-4-3-5-10(7-9)14-2/h3-5,7-8,11H,6,13H2,1-2H3
InChIKeyGMRQOTRXDIFHCS-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 115785901
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
2-(2,2-difluoroethoxy)-1-(3-methoxyphenyl)ethanamine
CID 82004138
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
1-(3-methoxyphenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 55000916
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
2-amino-3-(3-methoxyphenyl)butan-1-ol
CID 83907824
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
3,3,3-trifluoro-1-(3-methoxyphenyl)propan-1-amine
CID 61392780

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 4-fluoro-4-(3-methoxyphenyl)butan-2-amine (CID 105450757) is 4-fluoro-4-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 4-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 4-fluoro-4-(3-methoxyphenyl)butan-2-amine is COc1cccc(C(F)CC(C)N)c1.
What is the InChIKey of 4-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The InChIKey is GMRQOTRXDIFHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13)6-11(12)9-4-3-5-10(7-9)14-2/h3-5,7-8,11H,6,13H2,1-2H3.
What are the key properties of 4-fluoro-4-(3-methoxyphenyl)butan-2-amine?
4-fluoro-4-(3-methoxyphenyl)butan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 105450757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).