2-[(3-fluoropropylamino)methyl]phenol

C10H14FNO — CID 115733014

IUPAC2-[(3-fluoropropylamino)methyl]phenol
SMILESOc1ccccc1CNCCCF
InChIInChI=1S/C10H14FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyPIFGULJVDVYCFE-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.84
Rot. Bonds5

About 2-[(3-fluoropropylamino)methyl]phenol

2-[(3-fluoropropylamino)methyl]phenol (PubChem CID 115733014) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-[(3-fluoropropylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(3-fluoropropylamino)methyl]phenol
PubChem CID115733014
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-[(3-fluoropropylamino)methyl]phenol
SMILESOc1ccccc1CNCCCF
InChIInChI=1S/C10H14FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h1-2,4-5,12-13H,3,6-8H2
InChIKeyPIFGULJVDVYCFE-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(6-hydroxyhexylamino)methyl]phenol
CID 82678109
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868
2-[[2-[2-[(2-hydroxyphenyl)methylamino]ethyldisulfanyl]ethylamino]methyl]phenol
CID 15574744
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-[(3-ethenoxypropylamino)methyl]phenol
CID 28725894
N'-[[2-[(2-aminoethylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 86255808
2-(ethylaminomethyl)phenol
CID 12995218
3-fluoro-N-(isoquinolin-4-ylmethyl)propan-1-amine
CID 115748569
2-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]phenol
CID 103649053
2-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-(trifluoromethyl)phenol
CID 168972902

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoropropylamino)methyl]phenol?
The IUPAC name of 2-[(3-fluoropropylamino)methyl]phenol (CID 115733014) is 2-[(3-fluoropropylamino)methyl]phenol.
What is the SMILES notation for 2-[(3-fluoropropylamino)methyl]phenol?
The canonical SMILES for 2-[(3-fluoropropylamino)methyl]phenol is Oc1ccccc1CNCCCF.
What is the InChIKey of 2-[(3-fluoropropylamino)methyl]phenol?
The InChIKey is PIFGULJVDVYCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c11-6-3-7-12-8-9-4-1-2-5-10(9)13/h1-2,4-5,12-13H,3,6-8H2.
What are the key properties of 2-[(3-fluoropropylamino)methyl]phenol?
2-[(3-fluoropropylamino)methyl]phenol has a molecular weight of 183.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropropylamino)methyl]phenol is sourced from PubChem (CID 115733014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).