2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol

C12H16FN5O — CID 107053917

IUPAC2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCn1nnc(CC(CN)(CO)c2ccccc2F)n1
InChIInChI=1S/C12H16FN5O/c1-18-16-11(15-17-18)6-12(7-14,8-19)9-4-2-3-5-10(9)13/h2-5,19H,6-8,14H2,1H3
InChIKeyPORVASFVDVQDDQ-UHFFFAOYSA-N
MW265.29 g/mol
LogP-0.22
Rot. Bonds5

About 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol

2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol (PubChem CID 107053917) has the molecular formula C12H16FN5O and a molecular weight of 265.29 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
PubChem CID107053917
Molecular FormulaC12H16FN5O
Molecular Weight265.29 g/mol
Exact Mass265.13
IUPAC Name2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol
SMILESCn1nnc(CC(CN)(CO)c2ccccc2F)n1
InChIInChI=1S/C12H16FN5O/c1-18-16-11(15-17-18)6-12(7-14,8-19)9-4-2-3-5-10(9)13/h2-5,19H,6-8,14H2,1H3
InChIKeyPORVASFVDVQDDQ-UHFFFAOYSA-N
XLogP-0.22
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]propane-1,3-diol
CID 107058400
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-(aminomethyl)-3-(2-chlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507262
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
2-(aminomethyl)-3-(2-bromo-5-fluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507264
2-(aminomethyl)-3-(2,5-dichlorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507193
1-amino-2-[(2-methyltetrazol-5-yl)methyl]butan-2-ol
CID 107046307
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445313
2-(aminomethyl)-3-(2-chloro-6-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 106506065
1-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107047726
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol (CID 107053917) is 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol is Cn1nnc(CC(CN)(CO)c2ccccc2F)n1.
What is the InChIKey of 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
The InChIKey is PORVASFVDVQDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5O/c1-18-16-11(15-17-18)6-12(7-14,8-19)9-4-2-3-5-10(9)13/h2-5,19H,6-8,14H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol?
2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol has a molecular weight of 265.29 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(2-fluorophenyl)-3-(2-methyltetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 107053917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).