3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol

C14H22FNO — CID 114835046

IUPAC3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)(CN)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-13(2,10-16)14(3,17)9-11-7-5-6-8-12(11)15/h5-8,17H,4,9-10,16H2,1-3H3
InChIKeyUCWSUSPCINRYDJ-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.49
Rot. Bonds5

About 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol

3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol (PubChem CID 114835046) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
PubChem CID114835046
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)(CN)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H22FNO/c1-4-13(2,10-16)14(3,17)9-11-7-5-6-8-12(11)15/h5-8,17H,4,9-10,16H2,1-3H3
InChIKeyUCWSUSPCINRYDJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
ethyl 4-(2-fluorophenyl)-3-hydroxy-2,2,3-trimethylbutanoate
CID 114834438
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
CID 84720909
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84746068
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
2-[1-(aminomethyl)cyclobutyl]-1-(2-fluorophenyl)propan-2-ol
CID 114835055
2-N,3-bis(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831552

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol (CID 114835046) is 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol is CCC(C)(CN)C(C)(O)Cc1ccccc1F.
What is the InChIKey of 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is UCWSUSPCINRYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-4-13(2,10-16)14(3,17)9-11-7-5-6-8-12(11)15/h5-8,17H,4,9-10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol?
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 114835046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).