N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C16H21FN2S — CID 63019976

IUPACN-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)Cc1ccccc1F
InChIInChI=1S/C16H21FN2S/c1-3-18-10-13(9-15-11-19-12(2)20-15)8-14-6-4-5-7-16(14)17/h4-7,11,13,18H,3,8-10H2,1-2H3
InChIKeyVFFQLUQSRPCKTI-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.60
Rot. Bonds7

About N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 63019976) has the molecular formula C16H21FN2S and a molecular weight of 292.42 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID63019976
Molecular FormulaC16H21FN2S
Molecular Weight292.42 g/mol
Exact Mass292.14
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCCNCC(Cc1cnc(C)s1)Cc1ccccc1F
InChIInChI=1S/C16H21FN2S/c1-3-18-10-13(9-15-11-19-12(2)20-15)8-14-6-4-5-7-16(14)17/h4-7,11,13,18H,3,8-10H2,1-2H3
InChIKeyVFFQLUQSRPCKTI-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020323
2-[(4-bromothiophen-2-yl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 62515968
2-[(2-bromophenyl)methyl]-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 63522301
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(4-iodophenyl)propan-1-amine
CID 65489511
2-(ethoxymethyl)-N-ethyl-3-(2-fluorophenyl)propan-1-amine
CID 103984391
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019615
2-[(2-methylphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
CID 66060376
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053035
5-[2-(bromomethyl)-3-(2-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66043151
2-(2-fluorophenyl)-3-(2-methyl-1,3-thiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 79439524
N-[[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 54977606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 63019976) is N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is CCNCC(Cc1cnc(C)s1)Cc1ccccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is VFFQLUQSRPCKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2S/c1-3-18-10-13(9-15-11-19-12(2)20-15)8-14-6-4-5-7-16(14)17/h4-7,11,13,18H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 63019976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).