3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine

C18H23BrN2 — CID 104845549

IUPAC3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccc(Br)cn1
InChIInChI=1S/C18H23BrN2/c1-3-11-20-18(15-7-5-4-6-8-15)14(2)12-17-10-9-16(19)13-21-17/h4-10,13-14,18,20H,3,11-12H2,1-2H3
InChIKeyLBZDDZALNXDLMN-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.76
Rot. Bonds7

About 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine

3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine (PubChem CID 104845549) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
PubChem CID104845549
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
SMILESCCCNC(c1ccccc1)C(C)Cc1ccc(Br)cn1
InChIInChI=1S/C18H23BrN2/c1-3-11-20-18(15-7-5-4-6-8-15)14(2)12-17-10-9-16(19)13-21-17/h4-10,13-14,18,20H,3,11-12H2,1-2H3
InChIKeyLBZDDZALNXDLMN-UHFFFAOYSA-N
XLogP4.76
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 ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-3-phenyl-N-propylpropan-2-amine
CID 104801214
5-bromo-2-(3-chloro-2-methyl-3-phenylpropyl)pyridine
CID 104846463
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylfuran-3-yl)ethyl]propan-1-amine
CID 104804098
1-(5-bromo-2-pyridinyl)-4-methyl-3-phenylhexan-2-ol
CID 115833121
N-[2-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 104801976
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
3-(5-bromo-2-pyridinyl)-1-N,1-N-dimethyl-2-N-propylpropane-1,2-diamine
CID 113455051
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
N-[2-(5-bromo-2-pyridinyl)-1-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 105036368
3-(furan-2-yl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845531
3-(4-chlorophenyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845559

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine (CID 104845549) is 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine is CCCNC(c1ccccc1)C(C)Cc1ccc(Br)cn1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
The InChIKey is LBZDDZALNXDLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-3-11-20-18(15-7-5-4-6-8-15)14(2)12-17-10-9-16(19)13-21-17/h4-10,13-14,18,20H,3,11-12H2,1-2H3.
What are the key properties of 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine?
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine is sourced from PubChem (CID 104845549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).