3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol

C16H26FNO — CID 82073429

IUPAC3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)c(C)c1)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-18(16(3,4)5)10-9-15(19)13-7-8-14(17)12(2)11-13/h7-8,11,15,19H,6,9-10H2,1-5H3
InChIKeyZAVAGIAVRJRTME-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.68
Rot. Bonds5

About 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol

3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol (PubChem CID 82073429) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
PubChem CID82073429
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccc(F)c(C)c1)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-18(16(3,4)5)10-9-15(19)13-7-8-14(17)12(2)11-13/h7-8,11,15,19H,6,9-10H2,1-5H3
InChIKeyZAVAGIAVRJRTME-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl(ethyl)amino]-1-(3,4-dichlorophenyl)propan-1-ol
CID 82073458
3-[tert-butyl(ethyl)amino]-1-phenylpropan-1-ol
CID 82074488
2-(diethylamino)-1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-ol
CID 79063565
2-tert-butylsulfanyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 65132980
(1R)-2-chloro-1-(4-fluoro-3-methylphenyl)ethanol
CID 93182268
N,N-diethyl-1-(4-fluoro-3-methylphenyl)-1-hydrazinyl-2-methylbutan-2-amine
CID 105240807
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 66260153
1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-ol
CID 60929106
methyl 4-(4-fluoro-3-methylphenyl)-4-hydroxybutanoate
CID 62121072
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
1-(4-fluoro-3-methylphenyl)-3-(3-methylbutoxy)propan-1-ol
CID 55095039
2-N,2-N,2-triethyl-1-(4-fluoro-3-methylphenyl)butane-1,2-diamine
CID 79061789

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The IUPAC name of 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol (CID 82073429) is 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol is CCN(CCC(O)c1ccc(F)c(C)c1)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol?
The InChIKey is ZAVAGIAVRJRTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-18(16(3,4)5)10-9-15(19)13-7-8-14(17)12(2)11-13/h7-8,11,15,19H,6,9-10H2,1-5H3.
What are the key properties of 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol?
3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(ethyl)amino]-1-(4-fluoro-3-methylphenyl)propan-1-ol is sourced from PubChem (CID 82073429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).