N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine

C16H21NO — CID 61063846

IUPACN-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1occc1C
InChIInChI=1S/C16H21NO/c1-4-17-15(16-13(3)9-10-18-16)11-14-8-6-5-7-12(14)2/h5-10,15,17H,4,11H2,1-3H3
InChIKeyDHWHANWEEGJFBX-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.79
Rot. Bonds5

About N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine

N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine (PubChem CID 61063846) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
PubChem CID61063846
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine
SMILESCCNC(Cc1ccccc1C)c1occc1C
InChIInChI=1S/C16H21NO/c1-4-17-15(16-13(3)9-10-18-16)11-14-8-6-5-7-12(14)2/h5-10,15,17H,4,11H2,1-3H3
InChIKeyDHWHANWEEGJFBX-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805432
N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805164
N-[1-(3-bromofuran-2-yl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63944020
N-ethyl-1-(3-methylfuran-2-yl)-2-naphthalen-2-ylethanamine
CID 61077634
2-[1-chloro-2-(2-methylphenyl)ethyl]-3-methylfuran
CID 63015918
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanol
CID 63017347
N-ethyl-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 65153346
N-ethyl-1-(2-iodophenyl)-2-(2-methylphenyl)ethanamine
CID 63528971
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
N-ethyl-2-(2-methylphenyl)-1-thiophen-2-ylethanamine
CID 43490566
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine (CID 61063846) is N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine is CCNC(Cc1ccccc1C)c1occc1C.
What is the InChIKey of N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine?
The InChIKey is DHWHANWEEGJFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-4-17-15(16-13(3)9-10-18-16)11-14-8-6-5-7-12(14)2/h5-10,15,17H,4,11H2,1-3H3.
What are the key properties of N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine?
N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine has a molecular weight of 243.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-methylfuran-2-yl)-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 61063846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).