N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine

C13H14BrClN2O — CID 103444901

IUPACN-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1occc1Br
InChIInChI=1S/C13H14BrClN2O/c1-2-6-16-12(13-9(14)5-8-18-13)11-10(15)4-3-7-17-11/h3-5,7-8,12,16H,2,6H2,1H3
InChIKeyBKHZNTAGMNEOPW-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.18
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine

N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine (PubChem CID 103444901) has the molecular formula C13H14BrClN2O and a molecular weight of 329.62 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
PubChem CID103444901
Molecular FormulaC13H14BrClN2O
Molecular Weight329.62 g/mol
Exact Mass328.00
IUPAC NameN-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ncccc1Cl)c1occc1Br
InChIInChI=1S/C13H14BrClN2O/c1-2-6-16-12(13-9(14)5-8-18-13)11-10(15)4-3-7-17-11/h3-5,7-8,12,16H,2,6H2,1H3
InChIKeyBKHZNTAGMNEOPW-UHFFFAOYSA-N
XLogP4.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444915
N-[(3-chloro-2-pyridinyl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 103444844
N-[(3-bromofuran-2-yl)-quinoxalin-2-ylmethyl]propan-1-amine
CID 107357164
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
[(3-bromofuran-2-yl)-(3-ethyl-2-pyridinyl)methyl]hydrazine
CID 105263950
N-[(3-chloro-2-pyridinyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106654838
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
1-(3-chloro-2-pyridinyl)-N-propylbutan-1-amine
CID 103444817

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine (CID 103444901) is N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine is CCCNC(c1ncccc1Cl)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
The InChIKey is BKHZNTAGMNEOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O/c1-2-6-16-12(13-9(14)5-8-18-13)11-10(15)4-3-7-17-11/h3-5,7-8,12,16H,2,6H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine has a molecular weight of 329.62 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 103444901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).