N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine

C16H19BrN2O — CID 82832297

IUPACN-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-2-7-18-10-14-11-19-8-6-16(14)20-12-13-4-3-5-15(17)9-13/h3-6,8-9,11,18H,2,7,10,12H2,1H3
InChIKeyUUSIQLBEUXSWOP-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds7

About N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine

N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine (PubChem CID 82832297) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine
PubChem CID82832297
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cnccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-2-7-18-10-14-11-19-8-6-16(14)20-12-13-4-3-5-15(17)9-13/h3-6,8-9,11,18H,2,7,10,12H2,1H3
InChIKeyUUSIQLBEUXSWOP-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-bromo-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 18778240
N-[(4-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 81253184
N-[[5-bromo-2-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 63264975
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184
N-[[4-(3-chlorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81251291
N-[[4-[2-[di(propan-2-yl)amino]ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 115505732
N-[[4-(3-bromo-5-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81326386
N-[[4-(3,3,3-trifluoropropoxy)-3-pyridinyl]methyl]propan-1-amine
CID 82957136
N-[[5-fluoro-2-[(3-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 107695868
N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine (CID 82832297) is N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine is CCCNCc1cnccc1OCc1cccc(Br)c1.
What is the InChIKey of N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
The InChIKey is UUSIQLBEUXSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-2-7-18-10-14-11-19-8-6-16(14)20-12-13-4-3-5-15(17)9-13/h3-6,8-9,11,18H,2,7,10,12H2,1H3.
What are the key properties of N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine?
N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine has a molecular weight of 335.25 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 82832297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).