1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine

C16H19BrN2 — CID 62321246

IUPAC1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-3-16(13-7-9-14(17)10-8-13)18-11-15-6-4-5-12(2)19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyRYRFRJVMRVKSKQ-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.39
Rot. Bonds5

About 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine

1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine (PubChem CID 62321246) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
PubChem CID62321246
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc(C)n1)c1ccc(Br)cc1
InChIInChI=1S/C16H19BrN2/c1-3-16(13-7-9-14(17)10-8-13)18-11-15-6-4-5-12(2)19-15/h4-10,16,18H,3,11H2,1-2H3
InChIKeyRYRFRJVMRVKSKQ-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(6-methyl-2-pyridinyl)methylamino]propyl]phenol
CID 62321765
1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 60696428
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
1-(4-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 103711055
1-cyclopropyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 64918219
1-(4-bromophenyl)-N-(1,2-oxazol-5-ylmethyl)propan-1-amine
CID 103605430
(1R)-1-(4-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 81347820
1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 62845889
1-(4-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 63279798
1-(4-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55056902
1-(3-bromothiophen-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
CID 55057431
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine (CID 62321246) is 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine is CCC(NCc1cccc(C)n1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is RYRFRJVMRVKSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-16(13-7-9-14(17)10-8-13)18-11-15-6-4-5-12(2)19-15/h4-10,16,18H,3,11H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine?
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 319.25 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 62321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).