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

C15H18BrNO — CID 62632696

IUPACN-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NC(C)c1ccccc1Br)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-14(15-9-6-10-18-15)17-11(2)12-7-4-5-8-13(12)16/h4-11,14,17H,3H2,1-2H3
InChIKeyRBPSFRZZZLNTQI-UHFFFAOYSA-N
MW308.22 g/mol
LogP4.84
Rot. Bonds5

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

N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (PubChem CID 62632696) has the molecular formula C15H18BrNO and a molecular weight of 308.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
PubChem CID62632696
Molecular FormulaC15H18BrNO
Molecular Weight308.22 g/mol
Exact Mass307.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
SMILESCCC(NC(C)c1ccccc1Br)c1ccco1
InChIInChI=1S/C15H18BrNO/c1-3-14(15-9-6-10-18-15)17-11(2)12-7-4-5-8-13(12)16/h4-11,14,17H,3H2,1-2H3
InChIKeyRBPSFRZZZLNTQI-UHFFFAOYSA-N
XLogP4.84
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
2-[1-[1-(2-bromophenyl)ethylamino]propyl]phenol
CID 43680009
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81378982
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(3-chlorophenyl)propan-1-amine
CID 81383700
N-[(1R)-1-(2-bromophenyl)ethyl]-2-methylpentan-3-amine
CID 81378481
N-[1-(1-benzofuran-2-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62631823
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
N-[1-(2-bromophenyl)ethyl]hexan-3-amine
CID 63477080

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine (CID 62632696) is N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is CCC(NC(C)c1ccccc1Br)c1ccco1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
The InChIKey is RBPSFRZZZLNTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO/c1-3-14(15-9-6-10-18-15)17-11(2)12-7-4-5-8-13(12)16/h4-11,14,17H,3H2,1-2H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine?
N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-(furan-2-yl)propan-1-amine is sourced from PubChem (CID 62632696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).