2-(3-aminopropyl)-6-(fluoromethyl)phenol

C10H14FNO — CID 84659153

IUPAC2-(3-aminopropyl)-6-(fluoromethyl)phenol
SMILESNCCCc1cccc(CF)c1O
InChIInChI=1S/C10H14FNO/c11-7-9-4-1-3-8(10(9)13)5-2-6-12/h1,3-4,13H,2,5-7,12H2
InChIKeyGFAGCWRWWDKXJC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.75
Rot. Bonds4

About 2-(3-aminopropyl)-6-(fluoromethyl)phenol

2-(3-aminopropyl)-6-(fluoromethyl)phenol (PubChem CID 84659153) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-(fluoromethyl)phenol.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-(fluoromethyl)phenol
PubChem CID84659153
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(3-aminopropyl)-6-(fluoromethyl)phenol
SMILESNCCCc1cccc(CF)c1O
InChIInChI=1S/C10H14FNO/c11-7-9-4-1-3-8(10(9)13)5-2-6-12/h1,3-4,13H,2,5-7,12H2
InChIKeyGFAGCWRWWDKXJC-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutyl)-6-fluorophenol
CID 117279586
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
3-(4-fluorobutyl)benzene-1,2-diol
CID 68899588
2-(aminomethyl)-6-butylphenol
CID 142528852
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
2,3-bis(fluoromethyl)phenol
CID 139649900
4-(3-aminopropyl)-3-fluorobenzene-1,2-diol
CID 117280039
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
2,6-bis(4,4-dimethylpentyl)phenol
CID 170103636
3-(10,10-difluorodecyl)benzene-1,2-diol
CID 154435751
4-[2-(3-aminopropyl)phenyl]phenol
CID 83384327
3-[2-(2-fluorophenyl)phenyl]propan-1-amine
CID 170878786

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-(fluoromethyl)phenol?
The IUPAC name of 2-(3-aminopropyl)-6-(fluoromethyl)phenol (CID 84659153) is 2-(3-aminopropyl)-6-(fluoromethyl)phenol.
What is the SMILES notation for 2-(3-aminopropyl)-6-(fluoromethyl)phenol?
The canonical SMILES for 2-(3-aminopropyl)-6-(fluoromethyl)phenol is NCCCc1cccc(CF)c1O.
What is the InChIKey of 2-(3-aminopropyl)-6-(fluoromethyl)phenol?
The InChIKey is GFAGCWRWWDKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-7-9-4-1-3-8(10(9)13)5-2-6-12/h1,3-4,13H,2,5-7,12H2.
What are the key properties of 2-(3-aminopropyl)-6-(fluoromethyl)phenol?
2-(3-aminopropyl)-6-(fluoromethyl)phenol has a molecular weight of 183.23 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-(fluoromethyl)phenol is sourced from PubChem (CID 84659153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).