3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol

C15H17FN2O — CID 107733913

IUPAC3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
SMILESCCN(Cc1c(N)cccc1F)c1cccc(O)c1
InChIInChI=1S/C15H17FN2O/c1-2-18(11-5-3-6-12(19)9-11)10-13-14(16)7-4-8-15(13)17/h3-9,19H,2,10,17H2,1H3
InChIKeyOOSLXHWINFHDSO-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.14
Rot. Bonds4

About 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol

3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol (PubChem CID 107733913) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol.

Molecular Properties

Compound Name3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
PubChem CID107733913
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
SMILESCCN(Cc1c(N)cccc1F)c1cccc(O)c1
InChIInChI=1S/C15H17FN2O/c1-2-18(11-5-3-6-12(19)9-11)10-13-14(16)7-4-8-15(13)17/h3-9,19H,2,10,17H2,1H3
InChIKeyOOSLXHWINFHDSO-UHFFFAOYSA-N
XLogP3.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
3-[(3-amino-2-methylphenyl)methyl-ethylamino]phenol
CID 107733903
3-[2-(2-aminophenyl)ethyl-ethylamino]phenol
CID 107733931
2-[[ethyl(2-methylpropyl)amino]methyl]-3-fluoroaniline
CID 63330668
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
3-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-ethylamino]phenol
CID 107733916
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
2-amino-N-ethyl-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 107733558
azane;2-ethyl-3-fluoroaniline
CID 68647628
2-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-3-fluoroaniline
CID 63331319
N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63331189
3-[(5-amino-1,3-benzoxazol-2-yl)methyl-ethylamino]phenol
CID 107733910

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol?
The IUPAC name of 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol (CID 107733913) is 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol.
What is the SMILES notation for 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol?
The canonical SMILES for 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol is CCN(Cc1c(N)cccc1F)c1cccc(O)c1.
What is the InChIKey of 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol?
The InChIKey is OOSLXHWINFHDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-2-18(11-5-3-6-12(19)9-11)10-13-14(16)7-4-8-15(13)17/h3-9,19H,2,10,17H2,1H3.
What are the key properties of 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol?
3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol has a molecular weight of 260.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol is sourced from PubChem (CID 107733913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).