2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline

C13H14ClNO2 — CID 113461787

IUPAC2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline
SMILESCOCc1ccc(-c2cc(Cl)c(N)cc2C)o1
InChIInChI=1S/C13H14ClNO2/c1-8-5-12(15)11(14)6-10(8)13-4-3-9(17-13)7-16-2/h3-6H,7,15H2,1-2H3
InChIKeyBNPJGHFSMJXHDF-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline

2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline (PubChem CID 113461787) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline
PubChem CID113461787
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline
SMILESCOCc1ccc(-c2cc(Cl)c(N)cc2C)o1
InChIInChI=1S/C13H14ClNO2/c1-8-5-12(15)11(14)6-10(8)13-4-3-9(17-13)7-16-2/h3-6H,7,15H2,1-2H3
InChIKeyBNPJGHFSMJXHDF-UHFFFAOYSA-N
XLogP3.64
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(5-chlorothiophen-2-yl)-5-methylaniline
CID 104668336
2-chloro-4,5-dimethylaniline
CID 53416768
2-chloro-5-(methoxymethyl)aniline
CID 43349916
2-chloro-4-(2-ethyl-1-benzofuran-3-yl)-5-methylaniline
CID 104668341
3-[[5-(2-methylphenyl)furan-2-yl]methoxy]propan-1-amine
CID 112518463
N-[[5-(2-chloro-4,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106889016
(5-chloro-2-iodophenyl)-[5-(methoxymethyl)furan-2-yl]methanamine
CID 114030695
1-[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]propan-2-ol
CID 104725052
N-[[5-(2-bromo-5-chloro-4-methylphenyl)furan-2-yl]methyl]ethanamine
CID 104724948
N-[[5-(2,5-dichloro-4-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106889030
2-chloro-4-(2,5-dimethylthiophen-3-yl)-5-methylaniline
CID 104668338
chromium;formaldehyde;2-(methoxymethyl)-5-methylfuran
CID 173392423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline?
The IUPAC name of 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline (CID 113461787) is 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline.
What is the SMILES notation for 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline?
The canonical SMILES for 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline is COCc1ccc(-c2cc(Cl)c(N)cc2C)o1.
What is the InChIKey of 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline?
The InChIKey is BNPJGHFSMJXHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-8-5-12(15)11(14)6-10(8)13-4-3-9(17-13)7-16-2/h3-6H,7,15H2,1-2H3.
What are the key properties of 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline?
2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline has a molecular weight of 251.71 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-(methoxymethyl)furan-2-yl]-5-methylaniline is sourced from PubChem (CID 113461787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).