2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine

C14H22FNO2 — CID 117391698

IUPAC2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)(C)F)cc(C(C)CN)c1OC
InChIInChI=1S/C14H22FNO2/c1-9(8-16)11-6-10(14(2,3)15)7-12(17-4)13(11)18-5/h6-7,9H,8,16H2,1-5H3
InChIKeyLCDFZQYIWADTHJ-UHFFFAOYSA-N
MW255.33 g/mol
LogP2.97
Rot. Bonds5

About 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine

2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine (PubChem CID 117391698) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
PubChem CID117391698
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
SMILESCOc1cc(C(C)(C)F)cc(C(C)CN)c1OC
InChIInChI=1S/C14H22FNO2/c1-9(8-16)11-6-10(14(2,3)15)7-12(17-4)13(11)18-5/h6-7,9H,8,16H2,1-5H3
InChIKeyLCDFZQYIWADTHJ-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]ethanol
CID 117406771
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454
2-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-1-amine
CID 117445044
1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
CID 84714628
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
[1-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]cyclopentyl]methanamine
CID 117476110
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
2-(1-aminopropan-2-yl)-6-bromo-3,4-dimethoxyphenol
CID 117468539
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-methylpropan-1-ol
CID 117404587

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine?
The IUPAC name of 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine (CID 117391698) is 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine.
What is the SMILES notation for 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine?
The canonical SMILES for 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine is COc1cc(C(C)(C)F)cc(C(C)CN)c1OC.
What is the InChIKey of 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine?
The InChIKey is LCDFZQYIWADTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-9(8-16)11-6-10(14(2,3)15)7-12(17-4)13(11)18-5/h6-7,9H,8,16H2,1-5H3.
What are the key properties of 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine?
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine has a molecular weight of 255.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine is sourced from PubChem (CID 117391698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).