2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

C17H18BrN5O — CID 18087749

IUPAC2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCN(CCOc1ccc(Br)cc1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18BrN5O/c1-22(11-12-24-16-9-7-14(18)8-10-16)13-17-19-20-21-23(17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyDIEMDNGOMBYYMD-UHFFFAOYSA-N
MW388.27 g/mol
LogP2.94
Rot. Bonds7

About 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine

2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (PubChem CID 18087749) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
PubChem CID18087749
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC Name2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
SMILESCN(CCOc1ccc(Br)cc1)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C17H18BrN5O/c1-22(11-12-24-16-9-7-14(18)8-10-16)13-17-19-20-21-23(17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyDIEMDNGOMBYYMD-UHFFFAOYSA-N
XLogP2.94
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
2-(4-bromophenoxy)-N-[(2-chlorophenyl)methyl]-N-methylethanamine
CID 60646418
N-[(4-bromophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195075
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 106484887
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009
5-[(3,5-dichlorophenoxy)methyl]-1-phenyltetrazole
CID 24617612
N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 51261369
N-methyl-1-(4-methylsulfanylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 26625051
1-(3-fluorophenyl)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 18088026
1-phenyl-5-[(1-phenyltetrazol-5-yl)methyl]tetrazole
CID 3090521
2-(4-bromophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 51110679

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine (CID 18087749) is 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is CN(CCOc1ccc(Br)cc1)Cc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
The InChIKey is DIEMDNGOMBYYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-22(11-12-24-16-9-7-14(18)8-10-16)13-17-19-20-21-23(17)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine?
2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine has a molecular weight of 388.27 g/mol, XLogP of 2.94, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 18087749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).