2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C15H18ClNO — CID 106867653

IUPAC2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)oc2C)c(Cl)c1
InChIInChI=1S/C15H18ClNO/c1-9-4-5-12(14(16)6-9)8-15(17)13-7-10(2)18-11(13)3/h4-7,15H,8,17H2,1-3H3
InChIKeyGWADENFOPDDTBO-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 106867653) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID106867653
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1ccc(CC(N)c2cc(C)oc2C)c(Cl)c1
InChIInChI=1S/C15H18ClNO/c1-9-4-5-12(14(16)6-9)8-15(17)13-7-10(2)18-11(13)3/h4-7,15H,8,17H2,1-3H3
InChIKeyGWADENFOPDDTBO-UHFFFAOYSA-N
XLogP4.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 54979824
1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106867036
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
1-(2-chloro-4-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106865980
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
1-(2,5-dimethylfuran-3-yl)-2-phenylethanamine
CID 61078450
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 106867653) is 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1ccc(CC(N)c2cc(C)oc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is GWADENFOPDDTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9-4-5-12(14(16)6-9)8-15(17)13-7-10(2)18-11(13)3/h4-7,15H,8,17H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 263.77 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 106867653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).