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

C11H16FNO — CID 105450748

IUPAC3-fluoro-4-(3-methoxyphenyl)butan-2-amine
SMILESCOc1cccc(CC(F)C(C)N)c1
InChIInChI=1S/C11H16FNO/c1-8(13)11(12)7-9-4-3-5-10(6-9)14-2/h3-6,8,11H,7,13H2,1-2H3
InChIKeyMUOXQGAOWWGIAK-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.92
Rot. Bonds4

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

3-fluoro-4-(3-methoxyphenyl)butan-2-amine (PubChem CID 105450748) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-fluoro-4-(3-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-4-(3-methoxyphenyl)butan-2-amine
PubChem CID105450748
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-fluoro-4-(3-methoxyphenyl)butan-2-amine
SMILESCOc1cccc(CC(F)C(C)N)c1
InChIInChI=1S/C11H16FNO/c1-8(13)11(12)7-9-4-3-5-10(6-9)14-2/h3-6,8,11H,7,13H2,1-2H3
InChIKeyMUOXQGAOWWGIAK-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-[3-(3,5-dimethoxyphenoxy)phenyl]propan-2-amine
CID 63941754
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 105495790
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The IUPAC name of 3-fluoro-4-(3-methoxyphenyl)butan-2-amine (CID 105450748) is 3-fluoro-4-(3-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 3-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The canonical SMILES for 3-fluoro-4-(3-methoxyphenyl)butan-2-amine is COc1cccc(CC(F)C(C)N)c1.
What is the InChIKey of 3-fluoro-4-(3-methoxyphenyl)butan-2-amine?
The InChIKey is MUOXQGAOWWGIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(13)11(12)7-9-4-3-5-10(6-9)14-2/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 3-fluoro-4-(3-methoxyphenyl)butan-2-amine?
3-fluoro-4-(3-methoxyphenyl)butan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 105450748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).