2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol

C11H16FNO — CID 84774420

IUPAC2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
SMILESCc1cc(F)c(C)c(CCCN)c1O
InChIInChI=1S/C11H16FNO/c1-7-6-10(12)8(2)9(11(7)14)4-3-5-13/h6,14H,3-5,13H2,1-2H3
InChIKeyHXKZYTDOSZHAJT-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol

2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol (PubChem CID 84774420) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
PubChem CID84774420
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol
SMILESCc1cc(F)c(C)c(CCCN)c1O
InChIInChI=1S/C11H16FNO/c1-7-6-10(12)8(2)9(11(7)14)4-3-5-13/h6,14H,3-5,13H2,1-2H3
InChIKeyHXKZYTDOSZHAJT-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-difluoro-2,6-dimethylphenyl)propan-1-amine
CID 84775331
3-(3-aminopropyl)-4-bromo-2,6-dimethylphenol
CID 117398513
4-(3-aminopropyl)-3-fluoro-6-methylbenzene-1,2-diol
CID 117288575
2-(4-aminobutyl)-4-chloro-6-fluoro-3-methylphenol
CID 117335570
2-(3-aminopropyl)-6-bromo-3-fluoro-4-methylphenol
CID 84806983
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
2-(aminomethyl)-6-bromo-4-fluoro-3-methylphenol
CID 84697319
5-(3-aminopropyl)-2-bromo-6-fluoro-3-methylphenol
CID 117409500
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
2-ethyl-4,6-difluoro-3-methylphenol
CID 134178031
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
4-(3-aminopropyl)-2-bromo-6-methylbenzene-1,3-diol
CID 84806422

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol?
The IUPAC name of 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol (CID 84774420) is 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol?
The canonical SMILES for 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol is Cc1cc(F)c(C)c(CCCN)c1O.
What is the InChIKey of 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol?
The InChIKey is HXKZYTDOSZHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-6-10(12)8(2)9(11(7)14)4-3-5-13/h6,14H,3-5,13H2,1-2H3.
What are the key properties of 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol?
2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol has a molecular weight of 197.25 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-fluoro-3,6-dimethylphenol is sourced from PubChem (CID 84774420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).