5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine

C18H17NO2 — CID 71024961

IUPAC5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
SMILESCc1oc(N)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-13-16(11-18(19)21-13)12-20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-11H,12,19H2,1H3
InChIKeyVZIVQOYKKTXUKC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.42
Rot. Bonds4

About 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine

5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine (PubChem CID 71024961) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine.

Molecular Properties

Compound Name5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
PubChem CID71024961
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine
SMILESCc1oc(N)cc1COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO2/c1-13-16(11-18(19)21-13)12-20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-11H,12,19H2,1H3
InChIKeyVZIVQOYKKTXUKC-UHFFFAOYSA-N
XLogP4.42
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonyl-2-phenylacetamide
CID 58824159
[4-[[4-[4-(hydroxymethyl)phenyl]phenoxy]methyl]-5-methylfuran-2-yl] hydrogen carbonate
CID 69145077
ethyl (E)-3-[4-(hydroxymethyl)-5-methylfuran-2-yl]prop-2-enoate;(E)-3-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]prop-2-enoic acid
CID 158084506
5-methyl-4-[(4-phenoxyphenoxy)methyl]furan-2-carboxylic acid
CID 22685896
3-methoxy-N-[5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-yl]sulfonylpropanamide
CID 58824164
7,8-dimethyl-4-[(4-phenylphenoxy)methyl]chromen-2-one
CID 4850177
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
4-[(4-carbamoylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 62273259
2-amino-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]propanoic acid
CID 170879962
4-[(3-methoxy-4-phenylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 68919722
4-[(4-phenylphenoxy)methyl]pyridin-2-amine
CID 62466234
4-[[4-(4-acetylphenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid;methyl 4-[(4-iodophenoxy)methyl]-5-methylfuran-2-carboxylate
CID 158364687

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine?
The IUPAC name of 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine (CID 71024961) is 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine.
What is the SMILES notation for 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine?
The canonical SMILES for 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine is Cc1oc(N)cc1COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine?
The InChIKey is VZIVQOYKKTXUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-16(11-18(19)21-13)12-20-17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-11H,12,19H2,1H3.
What are the key properties of 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine?
5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine has a molecular weight of 279.34 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(4-phenylphenoxy)methyl]furan-2-amine is sourced from PubChem (CID 71024961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).