(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

C10H13F2NO — CID 171224945

IUPAC(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1[C@@H](N)CCF
InChIInChI=1S/C10H13F2NO/c1-14-10-3-2-7(12)6-8(10)9(13)4-5-11/h2-3,6,9H,4-5,13H2,1H3/t9-/m0/s1
InChIKeyJEDOBOKBDUEILX-VIFPVBQESA-N
MW201.22 g/mol
LogP2.19
Rot. Bonds4

About (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine

(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 171224945) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID171224945
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1[C@@H](N)CCF
InChIInChI=1S/C10H13F2NO/c1-14-10-3-2-7(12)6-8(10)9(13)4-5-11/h2-3,6,9H,4-5,13H2,1H3/t9-/m0/s1
InChIKeyJEDOBOKBDUEILX-VIFPVBQESA-N
XLogP2.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171205367
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
(3S)-3-amino-3-(5-fluoro-2-methoxyphenyl)propanenitrile
CID 131016140
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 82770710
(1R)-1-(5-fluoro-2-methoxyphenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171205383
(1S)-1-(4-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224881
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103

Frequently Asked Questions

What is the IUPAC name of (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 171224945) is (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is COc1ccc(F)cc1[C@@H](N)CCF.
What is the InChIKey of (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is JEDOBOKBDUEILX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13F2NO/c1-14-10-3-2-7(12)6-8(10)9(13)4-5-11/h2-3,6,9H,4-5,13H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine?
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 201.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 171224945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).