2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol

C15H23FN2O — CID 64791546

IUPAC2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
SMILESCCNC(CO)(CN(C)c1ccccc1F)C1CC1
InChIInChI=1S/C15H23FN2O/c1-3-17-15(11-19,12-8-9-12)10-18(2)14-7-5-4-6-13(14)16/h4-7,12,17,19H,3,8-11H2,1-2H3
InChIKeyMKLFEKCSIBOBID-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.01
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol

2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol (PubChem CID 64791546) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
PubChem CID64791546
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol
SMILESCCNC(CO)(CN(C)c1ccccc1F)C1CC1
InChIInChI=1S/C15H23FN2O/c1-3-17-15(11-19,12-8-9-12)10-18(2)14-7-5-4-6-13(14)16/h4-7,12,17,19H,3,8-11H2,1-2H3
InChIKeyMKLFEKCSIBOBID-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64790739
2-cyclopropyl-2-(ethylamino)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 64791730
2-cyclopropyl-3-(N,3-dimethylanilino)-2-(ethylamino)propan-1-ol
CID 64791529
2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propan-1-ol
CID 64796545
ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
CID 63924989
2-cyclopropyl-3-(2-methoxy-N-methylanilino)-2-(propan-2-ylamino)propan-1-ol
CID 64789926
3-(2-fluoro-N-methylanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64792340
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
2-(cyclopropylamino)-6-(2-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64792146
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
CID 64790377
2-cyclopropyl-2-(ethylamino)-3-[(2-methylphenyl)methylsulfanyl]propan-1-ol
CID 64807979
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol (CID 64791546) is 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol is CCNC(CO)(CN(C)c1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol?
The InChIKey is MKLFEKCSIBOBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-17-15(11-19,12-8-9-12)10-18(2)14-7-5-4-6-13(14)16/h4-7,12,17,19H,3,8-11H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol?
2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(2-fluoro-N-methylanilino)propan-1-ol is sourced from PubChem (CID 64791546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).