(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine

C10H15FN2O — CID 171230221

IUPAC(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(F)c1[C@@H](N)CCN
InChIInChI=1S/C10H15FN2O/c1-14-9-4-2-3-7(11)10(9)8(13)5-6-12/h2-4,8H,5-6,12-13H2,1H3/t8-/m0/s1
InChIKeyAJURICFRVWTODI-QMMMGPOBSA-N
MW198.24 g/mol
LogP1.18
Rot. Bonds4

About (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine

(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine (PubChem CID 171230221) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound Name(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
PubChem CID171230221
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
SMILESCOc1cccc(F)c1[C@@H](N)CCN
InChIInChI=1S/C10H15FN2O/c1-14-9-4-2-3-7(11)10(9)8(13)5-6-12/h2-4,8H,5-6,12-13H2,1H3/t8-/m0/s1
InChIKeyAJURICFRVWTODI-QMMMGPOBSA-N
XLogP1.18
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171220717
1-(2-fluoro-6-methoxyphenyl)-4-methylpent-4-en-1-amine
CID 114475528
1-(2-fluoro-6-methoxyphenyl)hex-4-yn-1-amine
CID 104806950
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
1-(2-fluoro-6-methoxyphenyl)-2-phenylethanamine
CID 65434992
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbut-3-en-1-amine
CID 171230255
methyl (3R)-3-amino-3-(2-fluoro-6-methoxyphenyl)propanoate
CID 171249964
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
ethyl (3R)-3-amino-2-fluoro-3-(2-fluoro-6-methoxyphenyl)propanoate;hydrochloride
CID 171243248
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine (CID 171230221) is (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine is COc1cccc(F)c1[C@@H](N)CCN.
What is the InChIKey of (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine?
The InChIKey is AJURICFRVWTODI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-14-9-4-2-3-7(11)10(9)8(13)5-6-12/h2-4,8H,5-6,12-13H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine?
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine has a molecular weight of 198.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 171230221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).