(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine

C11H16FNO2 — CID 171220717

IUPAC(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
SMILESCOc1cccc(OC)c1[C@@H](N)CCF
InChIInChI=1S/C11H16FNO2/c1-14-9-4-3-5-10(15-2)11(9)8(13)6-7-12/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1
InChIKeyDKTXNPRCONTLOP-QMMMGPOBSA-N
MW213.25 g/mol
LogP2.06
Rot. Bonds5

About (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine

(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine (PubChem CID 171220717) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
PubChem CID171220717
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine
SMILESCOc1cccc(OC)c1[C@@H](N)CCF
InChIInChI=1S/C11H16FNO2/c1-14-9-4-3-5-10(15-2)11(9)8(13)6-7-12/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1
InChIKeyDKTXNPRCONTLOP-QMMMGPOBSA-N
XLogP2.06
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethoxyphenyl)ethane-1,2-diamine
CID 22756535
(1R)-1-(2,6-dimethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171201179
(1S)-1-(2-fluoro-6-methoxyphenyl)propane-1,3-diamine
CID 171230221
(1S)-1-(2,6-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201155
(3R)-3-amino-3-(2,6-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171201207
(1R)-1-(2,6-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 171201163
(1R)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine
CID 171201173
(1S)-2-fluoro-1-(2-fluoro-6-methoxyphenyl)ethanamine;hydrochloride
CID 171210621
4-[(1R)-1-amino-3-fluoropropyl]-3,5-dimethoxyphenol;hydrochloride
CID 171202404
(1S)-1-(2,6-dimethoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171220710
(1S)-1-(2-fluoro-6-methoxyphenyl)pentan-1-amine
CID 171230231
(1R)-1-(2,6-dimethylphenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171204326

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine (CID 171220717) is (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine is COc1cccc(OC)c1[C@@H](N)CCF.
What is the InChIKey of (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine?
The InChIKey is DKTXNPRCONTLOP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-9-4-3-5-10(15-2)11(9)8(13)6-7-12/h3-5,8H,6-7,13H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine?
(1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine has a molecular weight of 213.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dimethoxyphenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 171220717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).