2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol

C18H22FNO — CID 60896520

IUPAC2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(21)15-6-4-5-7-16(15)19/h4-11,17,20-21H,12H2,1-3H3
InChIKeyCQMXPYBCQBNTLZ-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.27
Rot. Bonds4

About 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol

2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol (PubChem CID 60896520) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
PubChem CID60896520
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol
SMILESCC(C)(C)c1ccc(NCC(O)c2ccccc2F)cc1
InChIInChI=1S/C18H22FNO/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(21)15-6-4-5-7-16(15)19/h4-11,17,20-21H,12H2,1-3H3
InChIKeyCQMXPYBCQBNTLZ-UHFFFAOYSA-N
XLogP4.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-tert-butylanilino)-1-(2-fluorophenyl)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-fluorophenyl)-2-[4-(trifluoromethylsulfonyl)anilino]ethanol
CID 56808438
1-(2-fluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62810638
2-(3-bromo-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 63333952
2-(3-chloro-4-methylanilino)-1-(2-fluorophenyl)ethanol
CID 60898395
1-(2-fluorophenyl)-2-(3-methoxyanilino)ethanol
CID 60900716
1-(2-fluorophenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769940
2-[(2,5-dimethylpyrrol-1-yl)amino]-1-(2-fluorophenyl)ethanol
CID 79100107
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
CID 115609445
2-(3-ethynylanilino)-1-(2-fluorophenyl)ethanol
CID 60902359
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol (CID 60896520) is 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol is CC(C)(C)c1ccc(NCC(O)c2ccccc2F)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol?
The InChIKey is CQMXPYBCQBNTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-18(2,3)13-8-10-14(11-9-13)20-12-17(21)15-6-4-5-7-16(15)19/h4-11,17,20-21H,12H2,1-3H3.
What are the key properties of 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol?
2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol has a molecular weight of 287.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60896520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).