[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine

C12H12ClNO — CID 23130572

IUPAC[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C12H12ClNO/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2
InChIKeyPIXGCHNRNDHWHP-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.98
Rot. Bonds3

About [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine

[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine (PubChem CID 23130572) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
PubChem CID23130572
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
SMILESNCc1ccc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/C12H12ClNO/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2
InChIKeyPIXGCHNRNDHWHP-UHFFFAOYSA-N
XLogP2.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
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acetic acid;(3-chlorophenyl)methanamine
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[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
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CID 24798849
CID 24798849
[3-[(3-chlorophenyl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092957
2-(aminomethyl)-5-[(3-chlorophenyl)methoxy]pyran-4-one
CID 82064016
5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539645
2-chloro-5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazole
CID 63386452
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine (CID 23130572) is [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine is NCc1ccc(Cc2cccc(Cl)c2)o1.
What is the InChIKey of [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine?
The InChIKey is PIXGCHNRNDHWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-10-3-1-2-9(6-10)7-11-4-5-12(8-14)15-11/h1-6H,7-8,14H2.
What are the key properties of [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine?
[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine has a molecular weight of 221.69 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 23130572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).