2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol

C13H17ClFNO — CID 106506528

IUPAC2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
SMILESNCC(CO)(Cc1cc(Cl)ccc1F)C1CC1
InChIInChI=1S/C13H17ClFNO/c14-11-3-4-12(15)9(5-11)6-13(7-16,8-17)10-1-2-10/h3-5,10,17H,1-2,6-8,16H2
InChIKeyTZDUIWKZJJJGCR-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.37
Rot. Bonds5

About 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol

2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol (PubChem CID 106506528) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
PubChem CID106506528
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
SMILESNCC(CO)(Cc1cc(Cl)ccc1F)C1CC1
InChIInChI=1S/C13H17ClFNO/c14-11-3-4-12(15)9(5-11)6-13(7-16,8-17)10-1-2-10/h3-5,10,17H,1-2,6-8,16H2
InChIKeyTZDUIWKZJJJGCR-UHFFFAOYSA-N
XLogP2.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-2-cyclopropyl-3-(3,4-difluorophenyl)propan-1-ol
CID 106506646
2-(aminomethyl)-2-cyclopropyl-3-(2,3-dichlorophenyl)propan-1-ol
CID 107309951
2-(aminomethyl)-2-[(5-chloro-2-fluorophenyl)methyl]pentan-1-ol
CID 106506364
2-(aminomethyl)-2-cyclopropyl-3-(3-methylphenyl)propan-1-ol
CID 106506492
N-[(5-chloro-2-fluorophenyl)methyl]-2-cyclopropylpropan-2-amine
CID 103845100
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
1-(5-chloro-2-fluorophenyl)-4-cyclohexylbutan-2-amine
CID 103052907
2-[(5-chloro-2-fluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 103051451
3-(5-chloro-2-methoxyphenyl)-2-cyclopropyl-2-methylpropan-1-ol
CID 83151151
2-(aminomethyl)-2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)propan-1-ol
CID 106506636
N'-[(5-chloro-2-fluorophenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204907
2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 103047938

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol (CID 106506528) is 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol is NCC(CO)(Cc1cc(Cl)ccc1F)C1CC1.
What is the InChIKey of 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The InChIKey is TZDUIWKZJJJGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-3-4-12(15)9(5-11)6-13(7-16,8-17)10-1-2-10/h3-5,10,17H,1-2,6-8,16H2.
What are the key properties of 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol has a molecular weight of 257.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(5-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 106506528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).