[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine

C8H10BrNO — CID 155798142

IUPAC[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
SMILES[2H]C([2H])([2H])Oc1ccc(CN)cc1Br
InChIInChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3/i1D3
InChIKeyPZYWNKFZCOGPJX-FIBGUPNXSA-N
MW219.10 g/mol
LogP1.92
Rot. Bonds3

About [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine

[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine (PubChem CID 155798142) has the molecular formula C8H10BrNO and a molecular weight of 219.10 g/mol. Its IUPAC name is [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
PubChem CID155798142
Molecular FormulaC8H10BrNO
Molecular Weight219.10 g/mol
Exact Mass218.01
IUPAC Name[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine
SMILES[2H]C([2H])([2H])Oc1ccc(CN)cc1Br
InChIInChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3/i1D3
InChIKeyPZYWNKFZCOGPJX-FIBGUPNXSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.10
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-methoxyphenyl)methanamine
CID 22026276
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212
2-(3-bromo-4-methoxyphenyl)ethanamine;(3,5-dimethylphenyl)methanamine
CID 158549441
(3-bromo-4-phenoxyphenyl)methanamine
CID 82797010
[3-bromo-4-(2,4-dimethylphenoxy)phenyl]methanamine
CID 82797229
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
[3-bromo-4-(4-tert-butylphenoxy)phenyl]methanamine
CID 82798328
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
CID 63045122
2-[4-(aminomethyl)-2-bromophenoxy]-N-methylacetamide
CID 63046001

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine?
The IUPAC name of [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine (CID 155798142) is [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine.
What is the SMILES notation for [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine?
The canonical SMILES for [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine is [2H]C([2H])([2H])Oc1ccc(CN)cc1Br.
What is the InChIKey of [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine?
The InChIKey is PZYWNKFZCOGPJX-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3/i1D3.
What are the key properties of [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine?
[3-bromo-4-(trideuteriomethoxy)phenyl]methanamine has a molecular weight of 219.10 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(trideuteriomethoxy)phenyl]methanamine is sourced from PubChem (CID 155798142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).