N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine

C12H19NO — CID 115892086

IUPACN-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(C)NCCC1CC1
InChIInChI=1S/C12H19NO/c1-9-6-8-14-12(9)10(2)13-7-5-11-3-4-11/h6,8,10-11,13H,3-5,7H2,1-2H3
InChIKeyWJOLDKYTWYFCRI-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.04
Rot. Bonds5

About N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine

N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 115892086) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
PubChem CID115892086
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine
SMILESCc1ccoc1C(C)NCCC1CC1
InChIInChI=1S/C12H19NO/c1-9-6-8-14-12(9)10(2)13-7-5-11-3-4-11/h6,8,10-11,13H,3-5,7H2,1-2H3
InChIKeyWJOLDKYTWYFCRI-UHFFFAOYSA-N
XLogP3.04
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
3,3,3-trifluoro-N-[1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 115892146
3-cyclopropyl-N-ethyl-1-(3-methylfuran-2-yl)propan-1-amine
CID 104805642
1-cyclopropyl-N-[1-(3-methylfuran-2-yl)ethyl]ethanamine
CID 115888793
N-(2-cyclopentylethyl)-1-(furan-2-yl)ethanamine
CID 60919683
N-(2-cyclohexylethyl)-1-(furan-2-yl)ethanamine
CID 60919809
1-(3-methylfuran-2-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 115867921
(2R)-4-methyl-1-[[(1R)-1-(3-methylfuran-2-yl)ethyl]amino]pentan-2-ol
CID 97101602
2,2-dimethyl-3-[1-(3-methylfuran-2-yl)ethylamino]propanamide
CID 115903334
(1S)-1-(2-chlorophenyl)-N-(2-cyclopropylethyl)ethanamine
CID 81378406
4-[1-(2-cyclopentylethylamino)ethyl]phenol
CID 54932146
4-[1-(2-cyclopropylethylamino)ethyl]-3-fluorophenol
CID 107715210

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine (CID 115892086) is N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine is Cc1ccoc1C(C)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is WJOLDKYTWYFCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-6-8-14-12(9)10(2)13-7-5-11-3-4-11/h6,8,10-11,13H,3-5,7H2,1-2H3.
What are the key properties of N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine?
N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 115892086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).