[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine

C14H16ClNO2 — CID 62484281

IUPAC[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1ccc(Cl)c(OCc2cc(C)c(CN)o2)c1
InChIInChI=1S/C14H16ClNO2/c1-9-3-4-12(15)13(5-9)17-8-11-6-10(2)14(7-16)18-11/h3-6H,7-8,16H2,1-2H3
InChIKeyLHYZKNLKCNBWBK-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.59
Rot. Bonds4

About [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine

[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine (PubChem CID 62484281) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
PubChem CID62484281
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
SMILESCc1ccc(Cl)c(OCc2cc(C)c(CN)o2)c1
InChIInChI=1S/C14H16ClNO2/c1-9-3-4-12(15)13(5-9)17-8-11-6-10(2)14(7-16)18-11/h3-6H,7-8,16H2,1-2H3
InChIKeyLHYZKNLKCNBWBK-UHFFFAOYSA-N
XLogP3.59
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-2-yl]methanamine
CID 55077682
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
N-[[5-[(2-chloro-4-methylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 63495955
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160
[5-[(3,5-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62783793
[5-[(3-ethoxyphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62440838
N-[[5-[(2,5-dimethylphenoxy)methyl]-3-methylfuran-2-yl]methyl]propan-1-amine
CID 62453045
[5-(ethoxymethyl)-3-methylfuran-2-yl]methanamine
CID 62445439
[2-methyl-5-[(2,4,5-trichlorophenoxy)methyl]furan-3-yl]methanamine
CID 62452165
[5-[(2,5-dichlorophenoxy)methyl]furan-2-yl]methanamine
CID 62452227
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The IUPAC name of [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine (CID 62484281) is [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine.
What is the SMILES notation for [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The canonical SMILES for [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine is Cc1ccc(Cl)c(OCc2cc(C)c(CN)o2)c1.
What is the InChIKey of [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
The InChIKey is LHYZKNLKCNBWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-3-4-12(15)13(5-9)17-8-11-6-10(2)14(7-16)18-11/h3-6H,7-8,16H2,1-2H3.
What are the key properties of [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine?
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine is sourced from PubChem (CID 62484281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).