3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline

C14H16ClNO — CID 55062751

IUPAC3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
SMILESCCc1ccc(CNc2cccc(Cl)c2C)o1
InChIInChI=1S/C14H16ClNO/c1-3-11-7-8-12(17-11)9-16-14-6-4-5-13(15)10(14)2/h4-8,16H,3,9H2,1-2H3
InChIKeyNCROHAAZNHQYBM-UHFFFAOYSA-N
MW249.74 g/mol
LogP4.42
Rot. Bonds4

About 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline

3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline (PubChem CID 55062751) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
PubChem CID55062751
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline
SMILESCCc1ccc(CNc2cccc(Cl)c2C)o1
InChIInChI=1S/C14H16ClNO/c1-3-11-7-8-12(17-11)9-16-14-6-4-5-13(15)10(14)2/h4-8,16H,3,9H2,1-2H3
InChIKeyNCROHAAZNHQYBM-UHFFFAOYSA-N
XLogP4.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62345277
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5-chloro-N-[(5-ethylfuran-2-yl)methyl]-2,4-dimethoxyaniline
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3-chloro-2-methyl-N-prop-2-ynylaniline;hydrochloride
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3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
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N-[(5-ethylfuran-2-yl)methyl]-2-ethylsulfonylaniline
CID 62346709
2-chloro-N-[(5-ethylfuran-2-yl)methyl]-5-methylpyridin-3-amine
CID 114050852
3-chloro-N-[(2-ethylpyrazol-3-yl)methyl]-2-methylaniline
CID 115762690
2,3-dichloro-N-[(5-iodofuran-2-yl)methyl]aniline
CID 43772168
N-[(5-ethylfuran-2-yl)methyl]-2-propoxyaniline
CID 62346504
3-chloro-2-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760794
3-chloro-2-methyl-N-(naphthalen-1-ylmethyl)aniline
CID 28543484

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline?
The IUPAC name of 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline (CID 55062751) is 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline is CCc1ccc(CNc2cccc(Cl)c2C)o1.
What is the InChIKey of 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline?
The InChIKey is NCROHAAZNHQYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-3-11-7-8-12(17-11)9-16-14-6-4-5-13(15)10(14)2/h4-8,16H,3,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline?
3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline has a molecular weight of 249.74 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-ethylfuran-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 55062751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).