1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine

C13H20FNO — CID 43122340

IUPAC1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(F)cc1C(N)CC(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)8-11(15)10-7-9(14)5-6-12(10)16-4/h5-7,11H,8,15H2,1-4H3
InChIKeyHRDZKVXNQDEWPM-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.27
Rot. Bonds3

About 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine

1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 43122340) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
PubChem CID43122340
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
SMILESCOc1ccc(F)cc1C(N)CC(C)(C)C
InChIInChI=1S/C13H20FNO/c1-13(2,3)8-11(15)10-7-9(14)5-6-12(10)16-4/h5-7,11H,8,15H2,1-4H3
InChIKeyHRDZKVXNQDEWPM-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 131016140
[1-(5-fluoro-2-methoxyphenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025453
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
1-(5-fluoro-2-methoxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 61087087
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine (CID 43122340) is 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine is COc1ccc(F)cc1C(N)CC(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is HRDZKVXNQDEWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-13(2,3)8-11(15)10-7-9(14)5-6-12(10)16-4/h5-7,11H,8,15H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine?
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.27, 3 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)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 43122340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).