N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine

C12H16F3N — CID 62965296

IUPACN-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1F)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-16-12(7(2)3)8-5-6-9(13)11(15)10(8)14/h5-7,12,16H,4H2,1-3H3
InChIKeyWSBXBRGHMRJZKC-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.41
Rot. Bonds4

About N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine

N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine (PubChem CID 62965296) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
PubChem CID62965296
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC NameN-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
SMILESCCNC(c1ccc(F)c(F)c1F)C(C)C
InChIInChI=1S/C12H16F3N/c1-4-16-12(7(2)3)8-5-6-9(13)11(15)10(8)14/h5-7,12,16H,4H2,1-3H3
InChIKeyWSBXBRGHMRJZKC-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N,2-diethyl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 115855168
N-ethyl-3,4,4-trimethyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 115855108
1-(6,7-difluoro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65441173
N-ethyl-2-(2-methylpropylsulfanyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 65134970
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[(4-methylcyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 63415395
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 79411869
2-ethoxy-N-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 64532781
4-methyl-N-propyl-1-(2,3,4-trifluorophenyl)pentan-1-amine
CID 55186996
2-(4-chlorophenyl)-N-ethyl-1-(2,3,4-trifluorophenyl)ethanamine
CID 62964463
[2-propyl-1-(2,3,4-trifluorophenyl)pentyl]hydrazine
CID 105305658

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine (CID 62965296) is N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine is CCNC(c1ccc(F)c(F)c1F)C(C)C.
What is the InChIKey of N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
The InChIKey is WSBXBRGHMRJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-4-16-12(7(2)3)8-5-6-9(13)11(15)10(8)14/h5-7,12,16H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine?
N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine has a molecular weight of 231.26 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(2,3,4-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 62965296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).