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

C15H24FNO — CID 106507214

IUPAC2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CN)(CO)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-12(2)6-5-9-15(10-17,11-18)13-7-3-4-8-14(13)16/h3-4,7-8,12,18H,5-6,9-11,17H2,1-2H3
InChIKeyOSMYZXVXDMNGDZ-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.84
Rot. Bonds7

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

2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol (PubChem CID 106507214) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
PubChem CID106507214
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
SMILESCC(C)CCCC(CN)(CO)c1ccccc1F
InChIInChI=1S/C15H24FNO/c1-12(2)6-5-9-15(10-17,11-18)13-7-3-4-8-14(13)16/h3-4,7-8,12,18H,5-6,9-11,17H2,1-2H3
InChIKeyOSMYZXVXDMNGDZ-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

2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347
2-(aminomethyl)-2-(4-fluorophenyl)-6-methylheptan-1-ol
CID 106505955
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
1-[1-chloro-2-(chloromethyl)-5-methylhexan-2-yl]-2-fluorobenzene
CID 79453500
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 66089558
2-(3-methylbutyl)-2-(2-methylphenyl)propane-1,3-diol
CID 79449876
2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
CID 107053917
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol (CID 106507214) is 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol is CC(C)CCCC(CN)(CO)c1ccccc1F.
What is the InChIKey of 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol?
The InChIKey is OSMYZXVXDMNGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-12(2)6-5-9-15(10-17,11-18)13-7-3-4-8-14(13)16/h3-4,7-8,12,18H,5-6,9-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol?
2-(aminomethyl)-2-(2-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-(2-fluorophenyl)-6-methylheptan-1-ol is sourced from PubChem (CID 106507214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).