2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol

C14H19F2NO — CID 82316233

IUPAC2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(NC1CC1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-8(2)13(17-10-4-5-10)14(18)11-7-9(15)3-6-12(11)16/h3,6-8,10,13-14,17-18H,4-5H2,1-2H3
InChIKeyLVRFFICTRFFCPT-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.77
Rot. Bonds5

About 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol

2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol (PubChem CID 82316233) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
PubChem CID82316233
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(NC1CC1)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO/c1-8(2)13(17-10-4-5-10)14(18)11-7-9(15)3-6-12(11)16/h3,6-8,10,13-14,17-18H,4-5H2,1-2H3
InChIKeyLVRFFICTRFFCPT-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
CID 82316224
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
4-(cyclopropylamino)-5-(2,5-difluorophenyl)-5-hydroxypentanoic acid
CID 82349437
2-[(1S)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050878
2-[(1R)-1-(cyclopropylamino)ethyl]-4-fluorophenol
CID 97050879
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
2-(cyclopropylamino)-2-(2,5-difluorophenyl)acetamide
CID 60796305
1-[4-[1-(2,5-difluorophenyl)ethylamino]cyclohexyl]-2,2,2-trifluoroethanone
CID 141123025
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(R)-cycloheptyl-(2,5-difluorophenyl)methanol
CID 94502433
cycloheptyl-(2,5-difluorophenyl)methanol
CID 55091243

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol (CID 82316233) is 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol is CC(C)C(NC1CC1)C(O)c1cc(F)ccc1F.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
The InChIKey is LVRFFICTRFFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-8(2)13(17-10-4-5-10)14(18)11-7-9(15)3-6-12(11)16/h3,6-8,10,13-14,17-18H,4-5H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol?
2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol has a molecular weight of 255.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82316233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).