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

C15H16Br2N2 — CID 104810377

IUPAC2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cncc(Br)c1
InChIInChI=1S/C15H16Br2N2/c16-14-3-1-2-11(6-14)4-12(8-18)5-13-7-15(17)10-19-9-13/h1-3,6-7,9-10,12H,4-5,8,18H2
InChIKeyRLXXWEJDCHWDBI-UHFFFAOYSA-N
MW384.12 g/mol
LogP3.97
Rot. Bonds5

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

2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine (PubChem CID 104810377) has the molecular formula C15H16Br2N2 and a molecular weight of 384.12 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
PubChem CID104810377
Molecular FormulaC15H16Br2N2
Molecular Weight384.12 g/mol
Exact Mass381.97
IUPAC Name2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine
SMILESNCC(Cc1cccc(Br)c1)Cc1cncc(Br)c1
InChIInChI=1S/C15H16Br2N2/c16-14-3-1-2-11(6-14)4-12(8-18)5-13-7-15(17)10-19-9-13/h1-3,6-7,9-10,12H,4-5,8,18H2
InChIKeyRLXXWEJDCHWDBI-UHFFFAOYSA-N
XLogP3.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.12
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3-bromophenyl)propan-1-ol;hydrochloride
CID 86811592
3-bromo-5-[2-(bromomethyl)-3-(3-methylphenyl)propyl]pyridine
CID 104813345
2-[(3-bromophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309624
2-[(3-bromophenyl)methyl]heptan-1-amine
CID 63495988
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)propan-1-amine
CID 103049610
2-(3-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 104813203
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-(3-bromophenyl)sulfanyl-3-(5-bromo-3-pyridinyl)propan-2-amine
CID 104802808
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)propan-1-amine
CID 63496704
2-[(3-bromophenyl)methyl]-4-(3-methylbutoxy)butan-1-amine
CID 62529993
2-[(5-bromo-2-pyridinyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 104810370
2-[(3-bromophenyl)methyl]-4-[2-(2-methoxyethoxy)ethoxy]butan-1-amine
CID 104566257

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine (CID 104810377) is 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine is NCC(Cc1cccc(Br)c1)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine?
The InChIKey is RLXXWEJDCHWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2/c16-14-3-1-2-11(6-14)4-12(8-18)5-13-7-15(17)10-19-9-13/h1-3,6-7,9-10,12H,4-5,8,18H2.
What are the key properties of 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine?
2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine has a molecular weight of 384.12 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-3-(5-bromo-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 104810377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).