2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline

C12H12ClNO2 — CID 115877187

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H12ClNO2/c1-15-9-4-5-12(11(13)7-9)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3
InChIKeyGEUMINABKNQJRC-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.55
Rot. Bonds4

About 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline

2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline (PubChem CID 115877187) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
PubChem CID115877187
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline
SMILESCOc1ccc(NCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H12ClNO2/c1-15-9-4-5-12(11(13)7-9)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3
InChIKeyGEUMINABKNQJRC-UHFFFAOYSA-N
XLogP3.55
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-5-methoxy-2-methylaniline
CID 115743618
3-chloro-4-(furan-2-ylmethylamino)benzenecarbothioamide
CID 55181413
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2,2,2-trifluoro-1-[2-(furan-2-ylmethylamino)-4-methoxyphenyl]ethanol
CID 155451949
N-[(4-aminophenyl)methyl]-2-chloro-4-methoxyaniline
CID 115212369
3-bromo-5-chloro-N-(furan-2-ylmethyl)-2-methoxyaniline
CID 43689281
2,5-dichloro-N-(furan-2-ylmethyl)aniline
CID 18778634
N-(furan-2-ylmethyl)-2-methoxy-5-methylaniline
CID 23879682
4-chloro-2-(furan-2-ylmethylamino)-5-[(4-methoxyphenyl)methylsulfamoyl]benzoic acid
CID 155452009
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 694087
2-chloro-N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 167977484
6-chloro-4-N-(furan-2-ylmethyl)-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90894993

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline (CID 115877187) is 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline is COc1ccc(NCc2ccco2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline?
The InChIKey is GEUMINABKNQJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-15-9-4-5-12(11(13)7-9)14-8-10-3-2-6-16-10/h2-7,14H,8H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline?
2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline has a molecular weight of 237.69 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(furan-2-ylmethyl)-4-methoxyaniline is sourced from PubChem (CID 115877187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).