4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol

C14H23FN2O — CID 107694130

IUPAC4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)C(C)CN(C)C
InChIInChI=1S/C14H23FN2O/c1-5-17(11(2)9-16(3)4)10-12-6-7-14(18)13(15)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyWLHFYFXNWVSCPL-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.30
Rot. Bonds6

About 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol

4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol (PubChem CID 107694130) has the molecular formula C14H23FN2O and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
PubChem CID107694130
Molecular FormulaC14H23FN2O
Molecular Weight254.35 g/mol
Exact Mass254.18
IUPAC Name4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol
SMILESCCN(Cc1ccc(O)c(F)c1)C(C)CN(C)C
InChIInChI=1S/C14H23FN2O/c1-5-17(11(2)9-16(3)4)10-12-6-7-14(18)13(15)8-12/h6-8,11,18H,5,9-10H2,1-4H3
InChIKeyWLHFYFXNWVSCPL-UHFFFAOYSA-N
XLogP2.30
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl(propan-2-yl)amino]methyl]-2-fluorophenol
CID 107693937
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 103192624
2-fluoro-4-[[methyl(propan-2-yl)amino]methyl]phenol
CID 107693926
2,6-dibromo-4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]phenol
CID 107740422
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-methoxybenzenecarbothioamide
CID 103189034
3-[(3,4-difluorophenyl)methyl-ethylamino]butanoic acid
CID 65060898
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]benzenecarboximidamide
CID 103189217
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-5-fluorobenzonitrile
CID 103188929
3-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-4-fluorobenzonitrile
CID 103188917

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol?
The IUPAC name of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol (CID 107694130) is 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol.
What is the SMILES notation for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol?
The canonical SMILES for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol is CCN(Cc1ccc(O)c(F)c1)C(C)CN(C)C.
What is the InChIKey of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol?
The InChIKey is WLHFYFXNWVSCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O/c1-5-17(11(2)9-16(3)4)10-12-6-7-14(18)13(15)8-12/h6-8,11,18H,5,9-10H2,1-4H3.
What are the key properties of 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol?
4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol has a molecular weight of 254.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]-2-fluorophenol is sourced from PubChem (CID 107694130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).