(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride

C12H19ClFNO — CID 171205367

IUPAC(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc(F)cc1[C@H](N)CC(C)C.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-8(2)6-11(14)10-7-9(13)4-5-12(10)15-3;/h4-5,7-8,11H,6,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyPFFQVCOSKIOMGE-RFVHGSKJSA-N
MW247.74 g/mol
LogP3.30
Rot. Bonds4

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

(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 171205367) has the molecular formula C12H19ClFNO and a molecular weight of 247.74 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
PubChem CID171205367
Molecular FormulaC12H19ClFNO
Molecular Weight247.74 g/mol
Exact Mass247.11
IUPAC Name(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc(F)cc1[C@H](N)CC(C)C.Cl
InChIInChI=1S/C12H18FNO.ClH/c1-8(2)6-11(14)10-7-9(13)4-5-12(10)15-3;/h4-5,7-8,11H,6,14H2,1-3H3;1H/t11-;/m1./s1
InChIKeyPFFQVCOSKIOMGE-RFVHGSKJSA-N
XLogP3.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171216456
(1R)-1-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171201596
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171205383
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
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride (CID 171205367) is (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride is COc1ccc(F)cc1[C@H](N)CC(C)C.Cl.
What is the InChIKey of (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is PFFQVCOSKIOMGE-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H18FNO.ClH/c1-8(2)6-11(14)10-7-9(13)4-5-12(10)15-3;/h4-5,7-8,11H,6,14H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride?
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 247.74 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171205367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).