2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol

C14H19F2NO2 — CID 64803671

IUPAC2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
SMILESCC(CO)(CCOc1ccc(F)cc1F)NC1CC1
InChIInChI=1S/C14H19F2NO2/c1-14(9-18,17-11-3-4-11)6-7-19-13-5-2-10(15)8-12(13)16/h2,5,8,11,17-18H,3-4,6-7,9H2,1H3
InChIKeyPMKJTCYCARRJJE-UHFFFAOYSA-N
MW271.31 g/mol
LogP2.24
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol

2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol (PubChem CID 64803671) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
PubChem CID64803671
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol
SMILESCC(CO)(CCOc1ccc(F)cc1F)NC1CC1
InChIInChI=1S/C14H19F2NO2/c1-14(9-18,17-11-3-4-11)6-7-19-13-5-2-10(15)8-12(13)16/h2,5,8,11,17-18H,3-4,6-7,9H2,1H3
InChIKeyPMKJTCYCARRJJE-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-difluorophenoxy)-2-methylbutan-2-ol
CID 79360243
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
2-(cyclopentylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61055166
2-(cyclopropylamino)-2-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 64810807
N-[2-(2,4-difluorophenoxy)ethyl]cyclopentanamine
CID 62570847
2-(cycloheptylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61056358
2-(cyclohexylamino)-2-(2,4-difluorophenyl)propan-1-ol
CID 61046551
methyl 2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)-2-methylbutanoate
CID 102983783
1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 62572699
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
1-cyclopropyl-2-[2-(2,4-difluorophenoxy)ethyl]-3-ethylguanidine
CID 111548975

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol (CID 64803671) is 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol is CC(CO)(CCOc1ccc(F)cc1F)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol?
The InChIKey is PMKJTCYCARRJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(9-18,17-11-3-4-11)6-7-19-13-5-2-10(15)8-12(13)16/h2,5,8,11,17-18H,3-4,6-7,9H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol?
2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol has a molecular weight of 271.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,4-difluorophenoxy)-2-methylbutan-1-ol is sourced from PubChem (CID 64803671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).