[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine

C12H12ClNO2 — CID 62459366

IUPAC[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
SMILESNCc1ccoc1COc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2/c13-10-2-1-3-11(6-10)16-8-12-9(7-14)4-5-15-12/h1-6H,7-8,14H2
InChIKeyBKUYEHSNFRQAHS-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.97
Rot. Bonds4

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

[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine (PubChem CID 62459366) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
PubChem CID62459366
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine
SMILESNCc1ccoc1COc1cccc(Cl)c1
InChIInChI=1S/C12H12ClNO2/c13-10-2-1-3-11(6-10)16-8-12-9(7-14)4-5-15-12/h1-6H,7-8,14H2
InChIKeyBKUYEHSNFRQAHS-UHFFFAOYSA-N
XLogP2.97
TPSA48.39 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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[3-(methoxymethyl)phenoxy]methyl]furan-3-yl]methanamine
CID 63984257
[2-[(3-chlorophenyl)methoxymethyl]furan-3-yl]methanamine
CID 65125204
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 55076853
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
[2-(quinolin-7-yloxymethyl)furan-3-yl]methanamine
CID 107314996
[2-[(4-propoxyphenoxy)methyl]furan-3-yl]methanamine
CID 62485489
[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80729482
1-[2-[(3-ethoxyphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 62441796
[2-[(3-chlorophenoxy)methyl]-1H-benzimidazol-4-yl]methanamine
CID 104721339
[2-[[4-(2-methylbutan-2-yl)phenoxy]methyl]furan-3-yl]methanamine
CID 62454775
[2-[(4-methylsulfonylphenoxy)methyl]furan-3-yl]methanamine
CID 62486299

Frequently Asked Questions

What is the IUPAC name of [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine (CID 62459366) is [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine is NCc1ccoc1COc1cccc(Cl)c1.
What is the InChIKey of [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine?
The InChIKey is BKUYEHSNFRQAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-10-2-1-3-11(6-10)16-8-12-9(7-14)4-5-15-12/h1-6H,7-8,14H2.
What are the key properties of [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine?
[2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine has a molecular weight of 237.69 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-chlorophenoxy)methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62459366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).