N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

C16H19BrN2 — CID 115374411

IUPACN-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-3-8-19-16(13-9-12(2)10-18-11-13)14-6-4-5-7-15(14)17/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyKSSNMDGBBQOREA-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.24
Rot. Bonds5

About N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 115374411) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID115374411
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(C)c1)c1ccccc1Br
InChIInChI=1S/C16H19BrN2/c1-3-8-19-16(13-9-12(2)10-18-11-13)14-6-4-5-7-15(14)17/h4-7,9-11,16,19H,3,8H2,1-2H3
InChIKeyKSSNMDGBBQOREA-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62491898
N-[(2-methyl-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105173897
N-[(3-chloro-2-methylphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 107102936
N-[(2-methylfuran-3-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 113453420
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[1-benzofuran-2-yl-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374532
N-[(2-bromo-5-fluorophenyl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 115805273
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(3-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374247
N-[(2-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113297207
(2-bromophenyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374409

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 115374411) is N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(C)c1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is KSSNMDGBBQOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-3-8-19-16(13-9-12(2)10-18-11-13)14-6-4-5-7-15(14)17/h4-7,9-11,16,19H,3,8H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 319.25 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 115374411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).