1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

C13H17ClF3NO — CID 62601816

IUPAC1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESNC(CCCOCC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2
InChIKeyJKXIONRCFNASBX-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 62601816) has the molecular formula C13H17ClF3NO and a molecular weight of 295.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID62601816
Molecular FormulaC13H17ClF3NO
Molecular Weight295.73 g/mol
Exact Mass295.10
IUPAC Name1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESNC(CCCOCC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2
InChIKeyJKXIONRCFNASBX-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
1-(4-chlorophenyl)-4-ethoxybutan-2-amine
CID 61077786
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
CID 116627770
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
2-[(3-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528398
2-(4-chlorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79442186
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
1-(4-chlorophenyl)pentan-2-amine
CID 60820343
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 62601816) is 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is NC(CCCOCC(F)(F)F)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is JKXIONRCFNASBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2.
What are the key properties of 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 295.73 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 62601816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).