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

C13H17F2NO — CID 106506646

IUPAC2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H17F2NO/c14-11-4-1-9(5-12(11)15)6-13(7-16,8-17)10-2-3-10/h1,4-5,10,17H,2-3,6-8,16H2
InChIKeyIUHJSYCFXIWZNW-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.85
Rot. Bonds5

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

2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol (PubChem CID 106506646) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
PubChem CID106506646
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
SMILESNCC(CO)(Cc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C13H17F2NO/c14-11-4-1-9(5-12(11)15)6-13(7-16,8-17)10-2-3-10/h1,4-5,10,17H,2-3,6-8,16H2
InChIKeyIUHJSYCFXIWZNW-UHFFFAOYSA-N
XLogP1.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106506528
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
2-cyclopropyl-1-(3,4-difluorophenyl)pentan-2-ol
CID 114276080
2-(aminomethyl)-3-(3,4-difluorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507128
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
2-[(3,4-difluorophenyl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 82935794
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 106506836
(3,4-difluorophenyl)methanol
CID 522833
2-cyclopropyl-3-(3,4-difluorophenyl)-N-ethyl-2-methylpropan-1-amine
CID 83147897
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol (CID 106506646) is 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol is NCC(CO)(Cc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol?
The InChIKey is IUHJSYCFXIWZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-11-4-1-9(5-12(11)15)6-13(7-16,8-17)10-2-3-10/h1,4-5,10,17H,2-3,6-8,16H2.
What are the key properties of 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol?
2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 106506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).