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

C16H19BrN2O — CID 82832222

IUPACN-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1OCc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)19-10-14-6-4-8-18-16(14)20-11-13-5-3-7-15(17)9-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLRMMZXNBAHIDAM-UHFFFAOYSA-N
MW335.25 g/mol
LogP3.92
Rot. Bonds6

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

N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine (PubChem CID 82832222) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
PubChem CID82832222
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1OCc1cccc(Br)c1
InChIInChI=1S/C16H19BrN2O/c1-12(2)19-10-14-6-4-8-18-16(14)20-11-13-5-3-7-15(17)9-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyLRMMZXNBAHIDAM-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-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831306
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine
CID 82831234
[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methanamine
CID 82828121
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
N-[[2-(2-methylpropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289954
N-[[4-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-2-amine
CID 82807557
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62288607
N-[[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 114319725
N-[(3-bromophenyl)methyl]-2-propan-2-yloxypyridin-3-amine
CID 63454228
N-[[2-(2-bromo-4-fluorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297430
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
N-[[2-(2-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 103285396

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine (CID 82832222) is N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccnc1OCc1cccc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is LRMMZXNBAHIDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-12(2)19-10-14-6-4-8-18-16(14)20-11-13-5-3-7-15(17)9-13/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine?
N-[[2-[(3-bromophenyl)methoxy]-3-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-[[2-[(3-bromophenyl)methoxy]-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 82832222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).