2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine

C12H18FNO — CID 82078103

IUPAC2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1ccc(F)cc1C(CN)C(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)11(7-14)10-6-9(13)4-5-12(10)15-3/h4-6,8,11H,7,14H2,1-3H3
InChIKeyABICZPFHXRRPNM-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.53
Rot. Bonds4

About 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine

2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine (PubChem CID 82078103) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
PubChem CID82078103
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
SMILESCOc1ccc(F)cc1C(CN)C(C)C
InChIInChI=1S/C12H18FNO/c1-8(2)11(7-14)10-6-9(13)4-5-12(10)15-3/h4-6,8,11H,7,14H2,1-3H3
InChIKeyABICZPFHXRRPNM-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
2-(2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 82395562
(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine (CID 82078103) is 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine is COc1ccc(F)cc1C(CN)C(C)C.
What is the InChIKey of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine?
The InChIKey is ABICZPFHXRRPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)11(7-14)10-6-9(13)4-5-12(10)15-3/h4-6,8,11H,7,14H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine?
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine has a molecular weight of 211.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 82078103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).