1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine

C10H14BrN — CID 169435063

IUPAC1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/i2D3
InChIKeyNJECBXFYELEKOF-BMSJAHLVSA-N
MW231.15 g/mol
LogP2.60
Rot. Bonds4

About 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine

1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine (PubChem CID 169435063) has the molecular formula C10H14BrN and a molecular weight of 231.15 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
PubChem CID169435063
Molecular FormulaC10H14BrN
Molecular Weight231.15 g/mol
Exact Mass230.05
IUPAC Name1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C([2H])([2H])NC(C)Cc1cccc(Br)c1
InChIInChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/i2D3
InChIKeyNJECBXFYELEKOF-BMSJAHLVSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
3-(3-bromophenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103759748
3-(3-bromophenyl)-2-[(3-bromophenyl)methyl]-N-ethylpropan-1-amine
CID 63523539
(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 115890217
1-(3-bromophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 65131430
1-bromo-3-(2,2-dimethoxyethyl)benzene;ethane
CID 143308934
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
5-(3-bromophenyl)-4-methylpentan-2-ol
CID 64719451

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine (CID 169435063) is 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine is [2H]C([2H])([2H])NC(C)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine?
The InChIKey is NJECBXFYELEKOF-BMSJAHLVSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3/i2D3.
What are the key properties of 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine?
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine has a molecular weight of 231.15 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 169435063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).