N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine

C14H14BrCl2NO — CID 115861666

IUPACN-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1occc1Br
InChIInChI=1S/C14H14BrCl2NO/c1-2-4-18-13(14-12(15)3-5-19-14)9-6-10(16)8-11(17)7-9/h3,5-8,13,18H,2,4H2,1H3
InChIKeyONEVDQIDGAJPCK-UHFFFAOYSA-N
MW363.08 g/mol
LogP5.44
Rot. Bonds5

About N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine

N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 115861666) has the molecular formula C14H14BrCl2NO and a molecular weight of 363.08 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID115861666
Molecular FormulaC14H14BrCl2NO
Molecular Weight363.08 g/mol
Exact Mass360.96
IUPAC NameN-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Cl)cc(Cl)c1)c1occc1Br
InChIInChI=1S/C14H14BrCl2NO/c1-2-4-18-13(14-12(15)3-5-19-14)9-6-10(16)8-11(17)7-9/h3,5-8,13,18H,2,4H2,1H3
InChIKeyONEVDQIDGAJPCK-UHFFFAOYSA-N
XLogP5.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.08
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-3,5-dimethylphenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 114330770
N-[(3-bromofuran-2-yl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115861594
N-[(3-bromofuran-2-yl)-(5-bromothiophen-3-yl)methyl]propan-1-amine
CID 105150670
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460
N-[(3-bromofuran-2-yl)-(3-methylphenyl)methyl]propan-1-amine
CID 63941663
N-[(3-bromofuran-2-yl)-(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 106692103
N-[(4-bromo-2-chlorophenyl)-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861234
N-[(3-bromofuran-2-yl)-(3-chloro-2-pyridinyl)methyl]propan-1-amine
CID 103444901
N-[(3-bromofuran-2-yl)-(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 115861459
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
CID 63943030
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552
N-[(3-bromofuran-2-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]propan-1-amine
CID 115861372

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine (CID 115861666) is N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine is CCCNC(c1cc(Cl)cc(Cl)c1)c1occc1Br.
What is the InChIKey of N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is ONEVDQIDGAJPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2NO/c1-2-4-18-13(14-12(15)3-5-19-14)9-6-10(16)8-11(17)7-9/h3,5-8,13,18H,2,4H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine?
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 363.08 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115861666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).