N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine

C15H17BrClNO — CID 63943030

IUPACN-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1occc1Br
InChIInChI=1S/C15H17BrClNO/c1-2-8-18-14(15-13(16)7-9-19-15)10-11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeySYRHTRLGMKQHFC-UHFFFAOYSA-N
MW342.66 g/mol
LogP4.98
Rot. Bonds6

About N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine

N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine (PubChem CID 63943030) has the molecular formula C15H17BrClNO and a molecular weight of 342.66 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
PubChem CID63943030
Molecular FormulaC15H17BrClNO
Molecular Weight342.66 g/mol
Exact Mass341.02
IUPAC NameN-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Cl)cc1)c1occc1Br
InChIInChI=1S/C15H17BrClNO/c1-2-8-18-14(15-13(16)7-9-19-15)10-11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3
InChIKeySYRHTRLGMKQHFC-UHFFFAOYSA-N
XLogP4.98
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)sulfanylethyl]propan-1-amine
CID 66145552
[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105197805
1-(3-bromofuran-2-yl)-2-(4-bromophenyl)-N-ethylethanamine
CID 63941856
1-(3-bromofuran-2-yl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63943428
N-[2-(3-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104805826
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
1-(3-bromofuran-2-yl)-N-propylbut-3-en-1-amine
CID 116660927
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-[2-(4-chlorophenyl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107944998
1-(3-bromofuran-2-yl)-3-ethoxy-N-propylpropan-1-amine
CID 105150455
N-[(3-bromofuran-2-yl)-(3,5-dichlorophenyl)methyl]propan-1-amine
CID 115861666
1-(3-bromofuran-2-yl)-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105150562

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine (CID 63943030) is N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Cl)cc1)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
The InChIKey is SYRHTRLGMKQHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClNO/c1-2-8-18-14(15-13(16)7-9-19-15)10-11-3-5-12(17)6-4-11/h3-7,9,14,18H,2,8,10H2,1H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine?
N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine has a molecular weight of 342.66 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)-2-(4-chlorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63943030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).