5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol

C14H21F2NO — CID 103905568

IUPAC5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-10(9-18)5-4-8-17-11(2)14-12(15)6-3-7-13(14)16/h3,6-7,10-11,17-18H,4-5,8-9H2,1-2H3
InChIKeyQBHIKMDIVXXTGC-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.02
Rot. Bonds7

About 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol

5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol (PubChem CID 103905568) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
PubChem CID103905568
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC(C)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO/c1-10(9-18)5-4-8-17-11(2)14-12(15)6-3-7-13(14)16/h3,6-7,10-11,17-18H,4-5,8-9H2,1-2H3
InChIKeyQBHIKMDIVXXTGC-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
5-[1-(4-bromo-2-fluorophenyl)ethylamino]-2-methylpentan-1-ol
CID 102613092
N-[1-(2,6-difluorophenyl)ethyl]-3-phenylpropan-1-amine
CID 43101828
2-methyl-5-(1-naphthalen-1-ylethylamino)pentan-1-ol
CID 103905431
2-methyl-5-(1-thiophen-2-ylethylamino)pentan-1-ol
CID 103905543
N-[3-[1-(2,6-difluorophenyl)ethylamino]propyl]methanesulfonamide
CID 103776626
N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
N-[1-(2,6-difluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43206853
1-[1-(2,6-difluorophenyl)ethylamino]propan-2-ol
CID 43499407
N-[1-(2,6-difluorophenyl)ethyl]but-3-en-1-amine
CID 115900114

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol (CID 103905568) is 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol is CC(CO)CCCNC(C)c1c(F)cccc1F.
What is the InChIKey of 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol?
The InChIKey is QBHIKMDIVXXTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(9-18)5-4-8-17-11(2)14-12(15)6-3-7-13(14)16/h3,6-7,10-11,17-18H,4-5,8-9H2,1-2H3.
What are the key properties of 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol?
5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol has a molecular weight of 257.32 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluorophenyl)ethylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103905568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).