2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol

C17H19F2NO — CID 106506993

IUPAC2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CN)(CO)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-12-2-4-13(5-3-12)9-17(10-20,11-21)14-6-15(18)8-16(19)7-14/h2-8,21H,9-11,20H2,1H3
InChIKeyLMDRDTJJWQIUKO-UHFFFAOYSA-N
MW291.34 g/mol
LogP2.70
Rot. Bonds5

About 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol

2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 106506993) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
PubChem CID106506993
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol
SMILESCc1ccc(CC(CN)(CO)c2cc(F)cc(F)c2)cc1
InChIInChI=1S/C17H19F2NO/c1-12-2-4-13(5-3-12)9-17(10-20,11-21)14-6-15(18)8-16(19)7-14/h2-8,21H,9-11,20H2,1H3
InChIKeyLMDRDTJJWQIUKO-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 105411070
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
2-(aminomethyl)-3-(2-bromophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506992
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-(aminomethyl)-3-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106506959
2-(aminomethyl)-3-(2-fluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 106508546
2-(aminomethyl)-2-(3,5-difluorophenyl)octan-1-ol
CID 106506958
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
CID 61496563
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-(aminomethyl)-2-(3,5-difluorophenyl)-4-methylsulfonylbutan-1-ol
CID 106506974

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol (CID 106506993) is 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol is Cc1ccc(CC(CN)(CO)c2cc(F)cc(F)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is LMDRDTJJWQIUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c1-12-2-4-13(5-3-12)9-17(10-20,11-21)14-6-15(18)8-16(19)7-14/h2-8,21H,9-11,20H2,1H3.
What are the key properties of 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol?
2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 291.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(3,5-difluorophenyl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 106506993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).