(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine

C11H16FNO2 — CID 171201093

IUPAC(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
SMILESCOc1ccc([C@H](N)CCF)c(OC)c1
InChIInChI=1S/C11H16FNO2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,13H2,1-2H3/t10-/m1/s1
InChIKeyKIRIGUAZMDWKDV-SNVBAGLBSA-N
MW213.25 g/mol
LogP2.06
Rot. Bonds5

About (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine

(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine (PubChem CID 171201093) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
PubChem CID171201093
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
SMILESCOc1ccc([C@H](N)CCF)c(OC)c1
InChIInChI=1S/C11H16FNO2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,13H2,1-2H3/t10-/m1/s1
InChIKeyKIRIGUAZMDWKDV-SNVBAGLBSA-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

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
(1S)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171224371
(1R)-1-(4-bromo-2-methoxyphenyl)-3-fluoropropan-1-amine
CID 171204798
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171312907
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(1S)-3-fluoro-1-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171227736
(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171216551

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine?
The IUPAC name of (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine (CID 171201093) is (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine?
The canonical SMILES for (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine is COc1ccc([C@H](N)CCF)c(OC)c1.
What is the InChIKey of (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine?
The InChIKey is KIRIGUAZMDWKDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-8-3-4-9(10(13)5-6-12)11(7-8)15-2/h3-4,7,10H,5-6,13H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine?
(1R)-1-(2,4-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 (1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine is sourced from PubChem (CID 171201093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).