N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine

C14H17BrN2OS — CID 103714667

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCOc1cccc(Br)c1)c1nccs1
InChIInChI=1S/C14H17BrN2OS/c1-14(2,13-16-7-9-19-13)17-6-8-18-12-5-3-4-11(15)10-12/h3-5,7,9-10,17H,6,8H2,1-2H3
InChIKeyMVRHZGMPMAFDTA-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.81
Rot. Bonds6

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

N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103714667) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103714667
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(NCCOc1cccc(Br)c1)c1nccs1
InChIInChI=1S/C14H17BrN2OS/c1-14(2,13-16-7-9-19-13)17-6-8-18-12-5-3-4-11(15)10-12/h3-5,7,9-10,17H,6,8H2,1-2H3
InChIKeyMVRHZGMPMAFDTA-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenoxy)ethylamino]-2-methylbutan-1-ol
CID 64549139
N-[2-(3-bromophenoxy)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526264
N-[2-(3-bromophenoxy)ethyl]-4-tert-butylaniline
CID 63490147
3-(3-bromophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 47098019
2-(3-bromophenoxy)-N-(thiophen-2-ylmethyl)ethanamine
CID 39452165
3-(3-bromophenoxy)-N-propan-2-ylpropan-1-amine
CID 29015667
(1R)-N-[2-(3-bromophenoxy)ethyl]-1-(3-bromophenyl)ethanamine
CID 81381208
tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
N-[(5-bromo-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103714587
N-[2-(3-bromophenoxy)ethyl]-4-methoxypyrimidin-2-amine
CID 133270166
1-N'-[2-(3-bromophenoxy)ethyl]ethane-1,1-diamine
CID 163538279
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103714667) is N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)(NCCOc1cccc(Br)c1)c1nccs1.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is MVRHZGMPMAFDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-14(2,13-16-7-9-19-13)17-6-8-18-12-5-3-4-11(15)10-12/h3-5,7,9-10,17H,6,8H2,1-2H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine?
N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 341.27 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103714667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).