2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol

C12H18FNO — CID 65185892

IUPAC2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-8(2)11(7-14)12(15)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3
InChIKeyAFCYAWSXRQYQIW-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.09
Rot. Bonds4

About 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol

2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 65185892) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol
PubChem CID65185892
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)C(CN)C(O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO/c1-8(2)11(7-14)12(15)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3
InChIKeyAFCYAWSXRQYQIW-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol (CID 65185892) is 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol is CC(C)C(CN)C(O)c1cccc(F)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is AFCYAWSXRQYQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-8(2)11(7-14)12(15)9-4-3-5-10(13)6-9/h3-6,8,11-12,15H,7,14H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol?
2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 211.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 65185892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).