2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C15H21ClF3NO — CID 63517705

IUPAC2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cc(Cl)c(C(C)C)cc1OC(C)CNCC(F)(F)F
InChIInChI=1S/C15H21ClF3NO/c1-9(2)12-6-14(10(3)5-13(12)16)21-11(4)7-20-8-15(17,18)19/h5-6,9,11,20H,7-8H2,1-4H3
InChIKeyXIKFFHORQIWXFU-UHFFFAOYSA-N
MW323.79 g/mol
LogP4.69
Rot. Bonds6

About 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 63517705) has the molecular formula C15H21ClF3NO and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID63517705
Molecular FormulaC15H21ClF3NO
Molecular Weight323.79 g/mol
Exact Mass323.13
IUPAC Name2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1cc(Cl)c(C(C)C)cc1OC(C)CNCC(F)(F)F
InChIInChI=1S/C15H21ClF3NO/c1-9(2)12-6-14(10(3)5-13(12)16)21-11(4)7-20-8-15(17,18)19/h5-6,9,11,20H,7-8H2,1-4H3
InChIKeyXIKFFHORQIWXFU-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine with MolForge

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Related Compounds

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979
N-[2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)propyl]cyclopentanamine
CID 63517540
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-propylpentan-1-amine
CID 63497194
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62583039
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pentan-1-amine
CID 43530998
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62572417
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
6-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80631862

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 63517705) is 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1cc(Cl)c(C(C)C)cc1OC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is XIKFFHORQIWXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3NO/c1-9(2)12-6-14(10(3)5-13(12)16)21-11(4)7-20-8-15(17,18)19/h5-6,9,11,20H,7-8H2,1-4H3.
What are the key properties of 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 323.79 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 63517705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).