2-(3-aminopropyl)-4-fluoro-6-methoxyphenol

C10H14FNO2 — CID 117288585

IUPAC2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(CCCN)c1O
InChIInChI=1S/C10H14FNO2/c1-14-9-6-8(11)5-7(10(9)13)3-2-4-12/h5-6,13H,2-4,12H2,1H3
InChIKeyWVCCODLWVMOQOC-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.43
Rot. Bonds4

About 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol

2-(3-aminopropyl)-4-fluoro-6-methoxyphenol (PubChem CID 117288585) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
PubChem CID117288585
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)cc(CCCN)c1O
InChIInChI=1S/C10H14FNO2/c1-14-9-6-8(11)5-7(10(9)13)3-2-4-12/h5-6,13H,2-4,12H2,1H3
InChIKeyWVCCODLWVMOQOC-UHFFFAOYSA-N
XLogP1.43
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84776163
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
4-(4-fluoro-2-methoxyphenyl)butan-1-amine
CID 117287200
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
3-(3-aminopropyl)-2-fluoro-6-methoxy-5-methylphenol
CID 117304214
4-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)butan-1-amine
CID 117386233
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol?
The IUPAC name of 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol (CID 117288585) is 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol?
The canonical SMILES for 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol is COc1cc(F)cc(CCCN)c1O.
What is the InChIKey of 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol?
The InChIKey is WVCCODLWVMOQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-14-9-6-8(11)5-7(10(9)13)3-2-4-12/h5-6,13H,2-4,12H2,1H3.
What are the key properties of 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol?
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol has a molecular weight of 199.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117288585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).