N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine

C14H17BrClNO — CID 102653177

IUPACN-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3,5-7,14,17H,2,4,8-9H2,1H3
InChIKeyHSHRGPOQXNHXOH-UHFFFAOYSA-N
MW330.65 g/mol
LogP4.45
Rot. Bonds5

About N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine

N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (PubChem CID 102653177) has the molecular formula C14H17BrClNO and a molecular weight of 330.65 g/mol. Its IUPAC name is N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
PubChem CID102653177
Molecular FormulaC14H17BrClNO
Molecular Weight330.65 g/mol
Exact Mass329.02
IUPAC NameN-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)c1cccc(Br)c1Cl
InChIInChI=1S/C14H17BrClNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3,5-7,14,17H,2,4,8-9H2,1H3
InChIKeyHSHRGPOQXNHXOH-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.65
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653631
N-[(5-bromo-2-methylphenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653170
N-[(5-bromo-2-fluorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102652310
N-[2,3-dihydrofuran-5-yl-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 102653281
N-[2,3-dihydrofuran-5-yl(furan-2-yl)methyl]propan-1-amine
CID 102651455
N-[3,4-dihydro-2H-pyran-6-yl-(2-iodophenyl)methyl]propan-1-amine
CID 102649008
1-(3-bromo-2-chlorophenyl)-N-propylpentan-1-amine
CID 115832972
N-[(3-bromo-2-chlorophenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 115856015
N-[2,3-dihydrofuran-5-yl-(2-fluoro-6-methoxyphenyl)methyl]propan-1-amine
CID 102651984
N-[(2-chloro-4-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647383
N-[1-benzofuran-2-yl(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102651524
N-[2,3-dihydrofuran-5-yl-(2,3,4,5,6-pentafluorophenyl)methyl]propan-1-amine
CID 102653283

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine (CID 102653177) is N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCO1)c1cccc(Br)c1Cl.
What is the InChIKey of N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
The InChIKey is HSHRGPOQXNHXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO/c1-2-8-17-14(12-7-4-9-18-12)10-5-3-6-11(15)13(10)16/h3,5-7,14,17H,2,4,8-9H2,1H3.
What are the key properties of N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine?
N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine has a molecular weight of 330.65 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-2-chlorophenyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 102653177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).