1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol

C14H22FNO — CID 112633066

IUPAC1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-13(16-10-14(3,17)5-2)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyNLWLPQXHFNXNMM-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.03
Rot. Bonds6

About 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol

1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol (PubChem CID 112633066) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
PubChem CID112633066
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CC)c1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-13(16-10-14(3,17)5-2)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3
InChIKeyNLWLPQXHFNXNMM-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-methyl-1-(1-thiophen-2-ylpropylamino)butan-2-ol
CID 65107804
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
2-[1-(2-fluorophenyl)propylamino]-2-methylpropanamide
CID 112676964
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
(R)-N-[(1R)-1-(2-fluorophenyl)propyl]-2-methylpropane-2-sulfinamide
CID 99646735
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
3-[[1-(2-fluorophenyl)propylamino]methyl]hexan-1-ol
CID 103948607

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol (CID 112633066) is 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol is CCC(NCC(C)(O)CC)c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol?
The InChIKey is NLWLPQXHFNXNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-13(16-10-14(3,17)5-2)11-8-6-7-9-12(11)15/h6-9,13,16-17H,4-5,10H2,1-3H3.
What are the key properties of 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol?
1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)propylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 112633066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).