1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C13H18F3N — CID 43488017

IUPAC1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(C)c(C)c1
InChIInChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)10(3)7-11/h5-7,12,17H,4,8H2,1-3H3
InChIKeyNQNIJRUZDLRCAO-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.91
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 43488017) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID43488017
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(C)c(C)c1
InChIInChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)10(3)7-11/h5-7,12,17H,4,8H2,1-3H3
InChIKeyNQNIJRUZDLRCAO-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
CID 43488899
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
2-(3,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63416877
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 43487935
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
CID 62298672
1-(3,4-dimethylphenyl)-N-ethyl-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 63468837
1-(3,4-dimethylphenyl)-N-ethyl-2-(4-fluorophenoxy)ethanamine
CID 63473815
2-butylsulfanyl-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 64611504

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 43488017) is 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is NQNIJRUZDLRCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-4-17-12(8-13(14,15)16)11-6-5-9(2)10(3)7-11/h5-7,12,17H,4,8H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43488017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).