1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol

C14H21F2NO — CID 54893307

IUPAC1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
SMILESCC(C)CCCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)4-3-7-17-9-14(18)12-8-11(15)5-6-13(12)16/h5-6,8,10,14,17-18H,3-4,7,9H2,1-2H3
InChIKeyBYYWMPURNLPCMN-UHFFFAOYSA-N
MW257.32 g/mol
LogP3.02
Rot. Bonds7

About 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol

1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol (PubChem CID 54893307) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
PubChem CID54893307
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
SMILESCC(C)CCCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO/c1-10(2)4-3-7-17-9-14(18)12-8-11(15)5-6-13(12)16/h5-6,8,10,14,17-18H,3-4,7,9H2,1-2H3
InChIKeyBYYWMPURNLPCMN-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'}

Analyze 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
CID 82944241
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
N-[1-(2,5-difluorophenyl)ethyl]-5-methylhexan-1-amine
CID 115325076
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
CID 60908570
1-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol (CID 54893307) is 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol is CC(C)CCCNCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol?
The InChIKey is BYYWMPURNLPCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-10(2)4-3-7-17-9-14(18)12-8-11(15)5-6-13(12)16/h5-6,8,10,14,17-18H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol?
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol 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 1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol is sourced from PubChem (CID 54893307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).