3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine

C15H17BrN2 — CID 171379399

IUPAC3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])NCCC(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H17BrN2/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12/h2-8,10,14,17H,9,11H2,1H3/i1D3
InChIKeyLJCQBJWGCRNOHL-FIBGUPNXSA-N
MW308.24 g/mol
LogP3.59
Rot. Bonds6

About 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine

3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine (PubChem CID 171379399) has the molecular formula C15H17BrN2 and a molecular weight of 308.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
PubChem CID171379399
Molecular FormulaC15H17BrN2
Molecular Weight308.24 g/mol
Exact Mass307.08
IUPAC Name3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine
SMILES[2H]C([2H])([2H])NCCC(c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C15H17BrN2/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12/h2-8,10,14,17H,9,11H2,1H3/i1D3
InChIKeyLJCQBJWGCRNOHL-FIBGUPNXSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
CID 6328079
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
(3S)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 6433334
(3R)-3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(Z)-but-2-enedioic acid
CID 52949763
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 56841616
1-(4-bromophenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 79040984
3-(4-bromophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
CID 137321963
(3R)-3-(4-chlorophenyl)-3-pyridin-2-yl-N,N-bis(trideuteriomethyl)propan-1-amine
CID 131708765
4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
1-N-[3-(4-chlorophenyl)-3-pyridin-2-ylpropyl]hexane-1,5-diamine
CID 57132350

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine (CID 171379399) is 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine is [2H]C([2H])([2H])NCCC(c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine?
The InChIKey is LJCQBJWGCRNOHL-FIBGUPNXSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-17-11-9-14(15-4-2-3-10-18-15)12-5-7-13(16)8-6-12/h2-8,10,14,17H,9,11H2,1H3/i1D3.
What are the key properties of 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine?
3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine has a molecular weight of 308.24 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-pyridin-2-yl-N-(trideuteriomethyl)propan-1-amine is sourced from PubChem (CID 171379399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).