1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol

C14H21F2NO — CID 82316224

IUPAC1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C(C)C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-8(2)13(17-9(3)4)14(18)11-7-10(15)5-6-12(11)16/h5-9,13-14,17-18H,1-4H3
InChIKeyOINKNPWBVNBNPK-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.02
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol

1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 82316224) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID82316224
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(C(C)C)C(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-8(2)13(17-9(3)4)14(18)11-7-10(15)5-6-12(11)16/h5-9,13-14,17-18H,1-4H3
InChIKeyOINKNPWBVNBNPK-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 82316233
2-bromo-1-(2,5-difluorophenyl)propan-1-ol
CID 116863317
1-(2,5-difluorophenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711989
2-cyclopropyl-1-(2,5-difluorophenyl)propan-1-ol
CID 83148576
4-(2,5-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414806
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
1-(2,5-difluorophenyl)-2-(2-methoxyethylamino)propan-1-ol
CID 82316157
1-(2,4-difluorophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674206
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
(2R)-2-[[(1S)-1-(2,5-difluorophenyl)ethyl]amino]propan-1-ol
CID 93082624
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol (CID 82316224) is 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(C(C)C)C(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is OINKNPWBVNBNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-8(2)13(17-9(3)4)14(18)11-7-10(15)5-6-12(11)16/h5-9,13-14,17-18H,1-4H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol?
1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 82316224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).