2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C15H21ClF3NO — CID 79437061

IUPAC2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)NCC(CCOCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H21ClF3NO/c1-11(2)20-9-12(7-8-21-10-15(17,18)19)13-5-3-4-6-14(13)16/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyLZOOLWXDZASWFD-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.39
Rot. Bonds8

About 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 79437061) has the molecular formula C15H21ClF3NO and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID79437061
Molecular FormulaC15H21ClF3NO
Molecular Weight323.79 g/mol
Exact Mass323.13
IUPAC Name2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(C)NCC(CCOCC(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C15H21ClF3NO/c1-11(2)20-9-12(7-8-21-10-15(17,18)19)13-5-3-4-6-14(13)16/h3-6,11-12,20H,7-10H2,1-2H3
InChIKeyLZOOLWXDZASWFD-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.39
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

2-(2-chlorophenyl)-3-ethoxy-N-propan-2-ylpropan-1-amine
CID 103984866
2-(2-chlorophenyl)-4-(3-methylbutoxy)butan-1-amine
CID 79449337
2-(2-chlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 106706506
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 79436850
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
2-(2-chlorophenyl)-N-(2-methoxyethyl)-4-propoxybutan-1-amine
CID 106457186
2-[(2-chlorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62514759
1-(2,3-dichlorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147543
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
2-N-[1-(2-chlorophenyl)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62986141
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
N-[2-(2-chlorophenyl)-2-(3,3-dimethylbutoxy)ethyl]propan-2-amine
CID 66226677

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 79437061) is 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CC(C)NCC(CCOCC(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is LZOOLWXDZASWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3NO/c1-11(2)20-9-12(7-8-21-10-15(17,18)19)13-5-3-4-6-14(13)16/h3-6,11-12,20H,7-10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 323.79 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 79437061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).