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

C16H20BrNO — CID 105029326

IUPACN-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(Br)cc1C
InChIInChI=1S/C16H20BrNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h4-7,9-10,16,18H,3,8,11H2,1-2H3
InChIKeyABXTZSLSCRFXRJ-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.63
Rot. Bonds6

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

N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 105029326) has the molecular formula C16H20BrNO and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
PubChem CID105029326
Molecular FormulaC16H20BrNO
Molecular Weight322.25 g/mol
Exact Mass321.07
IUPAC NameN-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccc(Br)cc1C
InChIInChI=1S/C16H20BrNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h4-7,9-10,16,18H,3,8,11H2,1-2H3
InChIKeyABXTZSLSCRFXRJ-UHFFFAOYSA-N
XLogP4.63
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331439
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-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[1-(4-bromo-2-methylphenyl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 63526553
N-[2-(furan-2-yl)-1-(3-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 83182976
[1-(5-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331504
1-(4-bromo-2-methylphenyl)-N-propylpentan-1-amine
CID 115832820
N-[1-(4-fluoro-3-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83175003
N-[1-(3-chloro-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 107103017
N-[2-(furan-2-yl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 83176005
1-(3-bromophenyl)-3-(furan-2-yl)-N-propylpropan-2-amine
CID 83174817

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine (CID 105029326) is N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccc(Br)cc1C.
What is the InChIKey of N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is ABXTZSLSCRFXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO/c1-3-8-18-16(11-14-5-4-9-19-14)15-7-6-13(17)10-12(15)2/h4-7,9-10,16,18H,3,8,11H2,1-2H3.
What are the key properties of N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine?
N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromo-2-methylphenyl)-2-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105029326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).