1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol

C12H17ClFNO — CID 103047745

IUPAC1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol
SMILESCCCC(O)(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO/c1-2-5-12(16,8-15)7-9-6-10(13)3-4-11(9)14/h3-4,6,16H,2,5,7-8,15H2,1H3
InChIKeyYAPJPMYKUCWUCS-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.51
Rot. Bonds5

About 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol

1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol (PubChem CID 103047745) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol
PubChem CID103047745
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol
SMILESCCCC(O)(CN)Cc1cc(Cl)ccc1F
InChIInChI=1S/C12H17ClFNO/c1-2-5-12(16,8-15)7-9-6-10(13)3-4-11(9)14/h3-4,6,16H,2,5,7-8,15H2,1H3
InChIKeyYAPJPMYKUCWUCS-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-2-(3-chlorophenyl)propan-2-ol
CID 62009660
(1S)-2-amino-1-(2-chloro-4-fluorophenyl)-1-phenylethanol
CID 76320719
1-Amino-2-(4-chlorophenyl)butan-2-ol
CID 62775135
4-((3-Chlorophenyl)methyl)piperidin-4-ol
CID 62787599
1-(3-Chloro-2-fluorophenyl)-5-methoxy-5-methylhexan-2-amine
CID 103036012
1-Amino-3-(3-chloro-4-fluorophenyl)-2-phenylpropan-2-ol
CID 103039138
1-(3-Chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol
CID 103039654
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103041894
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-phenylbutan-2-ol
CID 103041910
2-(Aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 103041911
2-(Aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 103041912
1-[(3-Chloro-4-fluorophenyl)methyl]-4-(methylamino)cyclohexan-1-ol
CID 103041934

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol?
The IUPAC name of 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol (CID 103047745) is 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol.
What is the SMILES notation for 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol?
The canonical SMILES for 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol is CCCC(O)(CN)Cc1cc(Cl)ccc1F.
What is the InChIKey of 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol?
The InChIKey is YAPJPMYKUCWUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-2-5-12(16,8-15)7-9-6-10(13)3-4-11(9)14/h3-4,6,16H,2,5,7-8,15H2,1H3.
What are the key properties of 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol?
1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol has a molecular weight of 245.72 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol is sourced from PubChem (CID 103047745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).