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

C16H19BrN2O — CID 105075920

IUPACN-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1OCc1ccccc1Br
InChIInChI=1S/C16H19BrN2O/c1-12(2)19-9-13-7-8-18-10-16(13)20-11-14-5-3-4-6-15(14)17/h3-8,10,12,19H,9,11H2,1-2H3
InChIKeyRCGWOQDADFPEND-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds6

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

N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 105075920) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
PubChem CID105075920
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccncc1OCc1ccccc1Br
InChIInChI=1S/C16H19BrN2O/c1-12(2)19-9-13-7-8-18-10-16(13)20-11-14-5-3-4-6-15(14)17/h3-8,10,12,19H,9,11H2,1-2H3
InChIKeyRCGWOQDADFPEND-UHFFFAOYSA-N
XLogP3.92
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
N-[(3-propoxy-4-pyridinyl)methyl]propan-2-amine
CID 105075109
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-[[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methyl]propan-2-amine
CID 107687726
4-[(2-bromophenyl)methoxy]pyridin-3-amine
CID 82828460
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 60892832
N-[[3-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 105075167

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine (CID 105075920) is N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine is CC(C)NCc1ccncc1OCc1ccccc1Br.
What is the InChIKey of N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is RCGWOQDADFPEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(2)19-9-13-7-8-18-10-16(13)20-11-14-5-3-4-6-15(14)17/h3-8,10,12,19H,9,11H2,1-2H3.
What are the key properties of N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine?
N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 335.25 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-bromophenyl)methoxy]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 105075920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).