N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine

C18H23BrN2 — CID 104810744

IUPACN-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C18H23BrN2/c1-14(2)11-20-12-16(15-6-4-3-5-7-15)10-18-9-8-17(19)13-21-18/h3-9,13-14,16,20H,10-12H2,1-2H3
InChIKeyUTFQXFBPQALTKF-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.42
Rot. Bonds7

About N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine

N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine (PubChem CID 104810744) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
PubChem CID104810744
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC NameN-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(Cc1ccc(Br)cn1)c1ccccc1
InChIInChI=1S/C18H23BrN2/c1-14(2)11-20-12-16(15-6-4-3-5-7-15)10-18-9-8-17(19)13-21-18/h3-9,13-14,16,20H,10-12H2,1-2H3
InChIKeyUTFQXFBPQALTKF-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
5-bromo-2-(3-bromo-2-phenylpropyl)pyridine
CID 104813337
N-[3-(4-bromothiophen-2-yl)-2-phenylpropyl]-2-methylpropan-1-amine
CID 65429324
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
2-methyl-N-(2-phenyl-3-pyridin-3-ylpropyl)propan-1-amine
CID 81024756
N-[2-(4-bromophenyl)-3-(1-methylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 82870027
3-(5-bromo-2-pyridinyl)-2-(2-fluorophenyl)-N-propylpropan-1-amine
CID 104810862
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549
2-[(5-bromo-2-pyridinyl)methyl]-N-methylbutan-1-amine
CID 104810470
3-(2-methylpropylamino)-2-phenylpropan-1-ol
CID 115876691
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine (CID 104810744) is N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine is CC(C)CNCC(Cc1ccc(Br)cn1)c1ccccc1.
What is the InChIKey of N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine?
The InChIKey is UTFQXFBPQALTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-14(2)11-20-12-16(15-6-4-3-5-7-15)10-18-9-8-17(19)13-21-18/h3-9,13-14,16,20H,10-12H2,1-2H3.
What are the key properties of N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine?
N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-pyridinyl)-2-phenylpropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104810744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).