N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

C15H17BrN2O — CID 82832365

IUPACN-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-10-13-4-3-9-18-15(13)19-11-12-5-7-14(16)8-6-12/h3-9,17H,2,10-11H2,1H3
InChIKeyFSMLHXDGHUNYPH-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.53
Rot. Bonds6

About N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine

N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (PubChem CID 82832365) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
PubChem CID82832365
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccnc1OCc1ccc(Br)cc1
InChIInChI=1S/C15H17BrN2O/c1-2-17-10-13-4-3-9-18-15(13)19-11-12-5-7-14(16)8-6-12/h3-9,17H,2,10-11H2,1H3
InChIKeyFSMLHXDGHUNYPH-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
N-[[2-(3,3-dimethylbutoxy)-3-pyridinyl]methyl]ethanamine
CID 66226371
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[2-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]ethanamine
CID 103405698
N-[[6-[(4-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methyl]ethanamine
CID 82832289
N-[[2-(3-methylbut-3-enoxy)-3-pyridinyl]methyl]ethanamine
CID 114470543
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
CID 94186199
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82832222
N-[[2-[(4-chlorophenyl)methoxy]-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391563

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine (CID 82832365) is N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is CCNCc1cccnc1OCc1ccc(Br)cc1.
What is the InChIKey of N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
The InChIKey is FSMLHXDGHUNYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-2-17-10-13-4-3-9-18-15(13)19-11-12-5-7-14(16)8-6-12/h3-9,17H,2,10-11H2,1H3.
What are the key properties of N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine?
N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82832365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).