N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine

C15H17BrN2 — CID 43494512

IUPACN-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-2-9-18-15(13-4-3-10-17-11-13)12-5-7-14(16)8-6-12/h3-8,10-11,15,18H,2,9H2,1H3
InChIKeyVNXLSHXCDSWMLF-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.93
Rot. Bonds5

About N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine

N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine (PubChem CID 43494512) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
PubChem CID43494512
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC NameN-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cccnc1
InChIInChI=1S/C15H17BrN2/c1-2-9-18-15(13-4-3-10-17-11-13)12-5-7-14(16)8-6-12/h3-8,10-11,15,18H,2,9H2,1H3
InChIKeyVNXLSHXCDSWMLF-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 43495177
N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[(4-bromophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43494506
N-[(3-bromophenyl)-pyridin-3-ylmethyl]ethanamine
CID 54861187
N-[(2,6-dimethyl-3-pyridinyl)-pyridin-3-ylmethyl]propan-1-amine
CID 105098192
N-[2-(5-bromo-2-pyridinyl)-1-pyridin-3-ylethyl]propan-1-amine
CID 104801238
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
N-[(2,3-difluorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 63990259
N-[pyridin-3-yl(quinolin-8-yl)methyl]propan-1-amine
CID 81209832
N-[(5-bromo-2-methylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 115799160
N-[(4-butan-2-ylphenyl)-pyridin-3-ylmethyl]ethanamine
CID 43490300

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine (CID 43494512) is N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cccnc1.
What is the InChIKey of N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is VNXLSHXCDSWMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-2-9-18-15(13-4-3-10-17-11-13)12-5-7-14(16)8-6-12/h3-8,10-11,15,18H,2,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine?
N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 305.22 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 43494512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).