2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol

C15H24FNO — CID 106505955

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-12(2)4-3-9-15(10-17,11-18)13-5-7-14(16)8-6-13/h5-8,12,18H,3-4,9-11,17H2,1-2H3
InChIKeyDAFCEIUJTKZGQO-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.84
Rot. Bonds7

About 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol

2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol (PubChem CID 106505955) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
PubChem CID106505955
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CN)(CO)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO/c1-12(2)4-3-9-15(10-17,11-18)13-5-7-14(16)8-6-13/h5-8,12,18H,3-4,9-11,17H2,1-2H3
InChIKeyDAFCEIUJTKZGQO-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-bromo-2-(bromomethyl)-6-methylheptan-2-yl]-4-fluorobenzene
CID 83169137
2-(aminomethyl)-2-(4-fluorophenyl)-4-propan-2-yloxybutan-1-ol
CID 106505969
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-(4-fluorophenyl)-6-methylheptan-2-ol
CID 83158726
2-(aminomethyl)-2-(4-fluorophenyl)-4-propoxybutan-1-ol
CID 106505989
2-(aminomethyl)-2-(4-fluorophenyl)-4-(2-methoxyethoxy)butan-1-ol
CID 106505936
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958
2-(aminomethyl)-4-methyl-2-phenylpentan-1-ol
CID 106508028
2-(aminomethyl)-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-ol
CID 106730839
2-(aminomethyl)-2-(3-methylphenyl)hexan-1-ol
CID 106507318

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol (CID 106505955) is 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol is CC(C)CCCC(CN)(CO)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol?
The InChIKey is DAFCEIUJTKZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(2)4-3-9-15(10-17,11-18)13-5-7-14(16)8-6-13/h5-8,12,18H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol?
2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol has a molecular weight of 253.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol is sourced from PubChem (CID 106505955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).