N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

C14H15Cl2NO — CID 43492781

IUPACN-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C14H15Cl2NO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-11(15)12(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyPPLWMRPSWOSQHP-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.59
Rot. Bonds4

About N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine

N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (PubChem CID 43492781) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
PubChem CID43492781
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC NameN-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C14H15Cl2NO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-11(15)12(16)8-10/h4-8,14,17H,3H2,1-2H3
InChIKeyPPLWMRPSWOSQHP-UHFFFAOYSA-N
XLogP4.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 107998702
N-[(5-methylfuran-2-yl)-(5-methylfuran-3-yl)methyl]ethanamine
CID 114820177
N-[(4-fluoro-3,5-dimethylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 65299395
N-[[4-(2-methylbutan-2-yl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 66260331
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
N-[(3,4-dichlorophenyl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 43492862
N-[(4-bromo-3-chlorophenyl)-(5-bromofuran-2-yl)methyl]ethanamine
CID 81291306
N-[(5-methylfuran-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 116628607
N-[(2,6-dichlorophenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 43492874
N-[(5-methylfuran-2-yl)-(5-methylthiophen-3-yl)methyl]ethanamine
CID 104991414
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43492849
N-[[4-(2-methoxyethyl)phenyl]-(5-methylfuran-2-yl)methyl]ethanamine
CID 43489727

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine (CID 43492781) is N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is CCNC(c1ccc(Cl)c(Cl)c1)c1ccc(C)o1.
What is the InChIKey of N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
The InChIKey is PPLWMRPSWOSQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-3-17-14(13-7-4-9(2)18-13)10-5-6-11(15)12(16)8-10/h4-8,14,17H,3H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine?
N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine has a molecular weight of 284.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)-(5-methylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 43492781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).