1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol

C15H25FN2O — CID 115475172

IUPAC1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
SMILESCCN(CC(O)CNCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-4-18(14-7-5-6-13(16)8-14)11-15(19)10-17-9-12(2)3/h5-8,12,15,17,19H,4,9-11H2,1-3H3
InChIKeyKVFBMGPBIJXWRP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.26
Rot. Bonds8

About 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol

1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol (PubChem CID 115475172) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
PubChem CID115475172
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
SMILESCCN(CC(O)CNCC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2O/c1-4-18(14-7-5-6-13(16)8-14)11-15(19)10-17-9-12(2)3/h5-8,12,15,17,19H,4,9-11H2,1-3H3
InChIKeyKVFBMGPBIJXWRP-UHFFFAOYSA-N
XLogP2.26
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
2,2-diethyl-N-(3-fluorophenyl)-N-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63495574
1-(diethylamino)-3-[(3-fluorophenyl)methylamino]propan-2-ol
CID 60900020
1-(3-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904161
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
3-[3-fluoro-N-(2-methylpropyl)anilino]propanoic acid
CID 82319254
1-(diethylamino)-3-(3-fluoroanilino)propan-2-ol
CID 60897193
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol (CID 115475172) is 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol is CCN(CC(O)CNCC(C)C)c1cccc(F)c1.
What is the InChIKey of 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is KVFBMGPBIJXWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-4-18(14-7-5-6-13(16)8-14)11-15(19)10-17-9-12(2)3/h5-8,12,15,17,19H,4,9-11H2,1-3H3.
What are the key properties of 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol?
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 268.38 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 115475172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).