N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine

C15H18BrNO — CID 83176193

IUPACN-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-2-9-17-15(11-14-4-3-10-18-14)12-5-7-13(16)8-6-12/h3-8,10,15,17H,2,9,11H2,1H3
InChIKeyBKXVESFVWXLYGZ-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine

N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 83176193) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID83176193
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrNO/c1-2-9-17-15(11-14-4-3-10-18-14)12-5-7-13(16)8-6-12/h3-8,10,15,17H,2,9,11H2,1H3
InChIKeyBKXVESFVWXLYGZ-UHFFFAOYSA-N
XLogP4.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylsulfanylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 106849283
4-[2-(furan-2-yl)-1-(propylamino)ethyl]-N,N-dimethylaniline
CID 105177373
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[2-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 105029239
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029326
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[1-(4-bromo-2-methoxyphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029504
N-[1-(2-bromo-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107985335
N-[2-(furan-2-yl)-1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 83174801
N-[2-(2-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817936
N-[2-(furan-2-yl)-1-(5-methylthiophen-2-yl)ethyl]propan-1-amine
CID 105029308

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 83176193) is N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is BKXVESFVWXLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-2-9-17-15(11-14-4-3-10-18-14)12-5-7-13(16)8-6-12/h3-8,10,15,17H,2,9,11H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83176193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).