4-(2-aminopropyl)-5-fluoro-2-methylphenol

C10H14FNO — CID 117279524

IUPAC4-(2-aminopropyl)-5-fluoro-2-methylphenol
SMILESCc1cc(CC(C)N)c(F)cc1O
InChIInChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)9(11)5-10(6)13/h3,5,7,13H,4,12H2,1-2H3
InChIKeySIDLTNFVUJFERR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.73
Rot. Bonds2

About 4-(2-aminopropyl)-5-fluoro-2-methylphenol

4-(2-aminopropyl)-5-fluoro-2-methylphenol (PubChem CID 117279524) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-(2-aminopropyl)-5-fluoro-2-methylphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-5-fluoro-2-methylphenol
PubChem CID117279524
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-(2-aminopropyl)-5-fluoro-2-methylphenol
SMILESCc1cc(CC(C)N)c(F)cc1O
InChIInChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)9(11)5-10(6)13/h3,5,7,13H,4,12H2,1-2H3
InChIKeySIDLTNFVUJFERR-UHFFFAOYSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminopropyl)-5-fluoro-2-methylphenol 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-(5-chloro-2-fluoro-4-methylphenyl)propan-2-amine
CID 117290515
2-(2-aminopropyl)-4-chloro-5-fluorophenol
CID 117292217
2-(2-aminopropyl)-5-fluorophenol
CID 83695312
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
[2-(2-aminopropyl)-4,5-difluorophenyl]methanol
CID 117289921
5-(2-aminopropyl)-2-fluoro-3-methylphenol
CID 117279526
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
5-ethyl-4-fluoro-2-methylphenol
CID 118092212
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-5-fluoro-2-methylphenol?
The IUPAC name of 4-(2-aminopropyl)-5-fluoro-2-methylphenol (CID 117279524) is 4-(2-aminopropyl)-5-fluoro-2-methylphenol.
What is the SMILES notation for 4-(2-aminopropyl)-5-fluoro-2-methylphenol?
The canonical SMILES for 4-(2-aminopropyl)-5-fluoro-2-methylphenol is Cc1cc(CC(C)N)c(F)cc1O.
What is the InChIKey of 4-(2-aminopropyl)-5-fluoro-2-methylphenol?
The InChIKey is SIDLTNFVUJFERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6-3-8(4-7(2)12)9(11)5-10(6)13/h3,5,7,13H,4,12H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-5-fluoro-2-methylphenol?
4-(2-aminopropyl)-5-fluoro-2-methylphenol has a molecular weight of 183.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-5-fluoro-2-methylphenol is sourced from PubChem (CID 117279524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).