2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol

C15H23FN2O — CID 54994819

IUPAC2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)18(7-8-19)15-6-3-12(9-14(15)16)10-17-13-4-5-13/h3,6,9,11,13,17,19H,4-5,7-8,10H2,1-2H3
InChIKeyQHSLXQMZCBUFSQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.28
Rot. Bonds7

About 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol (PubChem CID 54994819) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
PubChem CID54994819
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol
SMILESCC(C)N(CCO)c1ccc(CNC2CC2)cc1F
InChIInChI=1S/C15H23FN2O/c1-11(2)18(7-8-19)15-6-3-12(9-14(15)16)10-17-13-4-5-13/h3,6,9,11,13,17,19H,4-5,7-8,10H2,1-2H3
InChIKeyQHSLXQMZCBUFSQ-UHFFFAOYSA-N
XLogP2.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]ethanol
CID 54879393
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
2-[N-cyclopropyl-4-[(cyclopropylamino)methyl]-2-fluoroanilino]ethanol
CID 54995451
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-methylanilino]propan-1-ol
CID 113426115
2-[2-[(cyclopropylamino)methyl]-N-propan-2-ylanilino]ethanol
CID 54994770
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethyl-2-fluoroaniline
CID 63957048
4-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-2-fluoro-N-methylaniline
CID 81057755
3-fluoro-4-[2-hydroxyethyl(propan-2-yl)amino]benzonitrile
CID 61146675
2-[N-cyclopropyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 54995402
2-[4-[(cyclopropylamino)methyl]-2,6-difluoro-N-propan-2-ylanilino]acetamide
CID 63077147
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol (CID 54994819) is 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol is CC(C)N(CCO)c1ccc(CNC2CC2)cc1F.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol?
The InChIKey is QHSLXQMZCBUFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)18(7-8-19)15-6-3-12(9-14(15)16)10-17-13-4-5-13/h3,6,9,11,13,17,19H,4-5,7-8,10H2,1-2H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol?
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol has a molecular weight of 266.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propan-2-ylanilino]ethanol is sourced from PubChem (CID 54994819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).