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

C15H19BrN2S — CID 97104486

IUPAC2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESC[C@H](NCC(C)(C)c1ccccc1Br)c1nccs1
InChIInChI=1S/C15H19BrN2S/c1-11(14-17-8-9-19-14)18-10-15(2,3)12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1
InChIKeyNDFQBNIOFKLGCM-NSHDSACASA-N
MW339.30 g/mol
LogP4.53
Rot. Bonds5

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

2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (PubChem CID 97104486) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
PubChem CID97104486
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
SMILESC[C@H](NCC(C)(C)c1ccccc1Br)c1nccs1
InChIInChI=1S/C15H19BrN2S/c1-11(14-17-8-9-19-14)18-10-15(2,3)12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1
InChIKeyNDFQBNIOFKLGCM-NSHDSACASA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine (CID 97104486) is 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is C[C@H](NCC(C)(C)c1ccccc1Br)c1nccs1.
What is the InChIKey of 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
The InChIKey is NDFQBNIOFKLGCM-NSHDSACASA-N. The full InChI is InChI=1S/C15H19BrN2S/c1-11(14-17-8-9-19-14)18-10-15(2,3)12-6-4-5-7-13(12)16/h4-9,11,18H,10H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine?
2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine has a molecular weight of 339.30 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-2-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 97104486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).