1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine

C18H23BrN2 — CID 81112033

IUPAC1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1Br)C(C)c1ccccn1
InChIInChI=1S/C18H23BrN2/c1-4-10-21-18(14(3)17-7-5-6-11-20-17)15-12-13(2)8-9-16(15)19/h5-9,11-12,14,18,21H,4,10H2,1-3H3
InChIKeyOILYCDIYSFXLKQ-UHFFFAOYSA-N
MW347.30 g/mol
LogP5.00
Rot. Bonds6

About 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine

1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (PubChem CID 81112033) has the molecular formula C18H23BrN2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
PubChem CID81112033
Molecular FormulaC18H23BrN2
Molecular Weight347.30 g/mol
Exact Mass346.10
IUPAC Name1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
SMILESCCCNC(c1cc(C)ccc1Br)C(C)c1ccccn1
InChIInChI=1S/C18H23BrN2/c1-4-10-21-18(14(3)17-7-5-6-11-20-17)15-12-13(2)8-9-16(15)19/h5-9,11-12,14,18,21H,4,10H2,1-3H3
InChIKeyOILYCDIYSFXLKQ-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-fluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447432
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
1-(2-bromophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66446447
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
N-[(2-bromo-5-methylphenyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 115827956
1-(2-bromofuran-3-yl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 106854819
1-(4-bromo-3-chlorophenyl)-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 81295824
1-(2-bromo-5-methylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 114978438

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine (CID 81112033) is 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is CCCNC(c1cc(C)ccc1Br)C(C)c1ccccn1.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
The InChIKey is OILYCDIYSFXLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2/c1-4-10-21-18(14(3)17-7-5-6-11-20-17)15-12-13(2)8-9-16(15)19/h5-9,11-12,14,18,21H,4,10H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine?
1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine has a molecular weight of 347.30 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 81112033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).