3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline

C14H17NO — CID 43189724

IUPAC3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C14H17NO/c1-10-5-4-6-13(9-10)15-12(3)14-8-7-11(2)16-14/h4-9,12,15H,1-3H3
InChIKeyLTGMQCABFFJDOJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP4.07
Rot. Bonds3

About 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline

3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline (PubChem CID 43189724) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
PubChem CID43189724
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
SMILESCc1cccc(NC(C)c2ccc(C)o2)c1
InChIInChI=1S/C14H17NO/c1-10-5-4-6-13(9-10)15-12(3)14-8-7-11(2)16-14/h4-9,12,15H,1-3H3
InChIKeyLTGMQCABFFJDOJ-UHFFFAOYSA-N
XLogP4.07
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N,3-N-dimethyl-1-N-[1-(5-methylfuran-2-yl)ethyl]benzene-1,3-diamine
CID 115376129
N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43193733
methyl N-[3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]carbamate
CID 60942225
N-[1-(5-methylfuran-2-yl)ethyl]-3-(1,3-oxazol-5-yl)aniline
CID 60935318
2,5-dimethyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 43196557
N-[1-(5-methylfuran-2-yl)ethyl]pyridin-4-amine
CID 61039528
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]isoindole-1,3-dione
CID 43192242
N-[2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]phenyl]acetamide
CID 43735957
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977
(2R,3R)-3-(3-methylanilino)butan-2-ol
CID 25072640
2,3-difluoro-N-[1-(5-methylfuran-2-yl)ethyl]aniline
CID 61077155

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The IUPAC name of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline (CID 43189724) is 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline.
What is the SMILES notation for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The canonical SMILES for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline is Cc1cccc(NC(C)c2ccc(C)o2)c1.
What is the InChIKey of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
The InChIKey is LTGMQCABFFJDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-5-4-6-13(9-10)15-12(3)14-8-7-11(2)16-14/h4-9,12,15H,1-3H3.
What are the key properties of 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline?
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline has a molecular weight of 215.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]aniline is sourced from PubChem (CID 43189724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).