N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine

C14H17NO — CID 782822

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(C)Cc2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyPLXKOSIEYNAHBU-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.22
Rot. Bonds4

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine (PubChem CID 782822) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
PubChem CID782822
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine
SMILESCc1ccc(CN(C)Cc2ccccc2)o1
InChIInChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3
InChIKeyPLXKOSIEYNAHBU-UHFFFAOYSA-N
XLogP3.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine (CID 782822) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine is Cc1ccc(CN(C)Cc2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is PLXKOSIEYNAHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-12-8-9-14(16-12)11-15(2)10-13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 215.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 782822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).