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

C14H17ClN2O — CID 62412264

IUPAC[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
SMILESCN(Cc1cc(CN)co1)Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-17(8-12-4-2-3-5-14(12)15)9-13-6-11(7-16)10-18-13/h2-6,10H,7-9,16H2,1H3
InChIKeyYWQUYOXCSUZPHX-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.02
Rot. Bonds5

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

[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine (PubChem CID 62412264) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
PubChem CID62412264
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
SMILESCN(Cc1cc(CN)co1)Cc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O/c1-17(8-12-4-2-3-5-14(12)15)9-13-6-11(7-16)10-18-13/h2-6,10H,7-9,16H2,1H3
InChIKeyYWQUYOXCSUZPHX-UHFFFAOYSA-N
XLogP3.02
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The IUPAC name of [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine (CID 62412264) is [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine.
What is the SMILES notation for [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The canonical SMILES for [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine is CN(Cc1cc(CN)co1)Cc1ccccc1Cl.
What is the InChIKey of [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine?
The InChIKey is YWQUYOXCSUZPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-17(8-12-4-2-3-5-14(12)15)9-13-6-11(7-16)10-18-13/h2-6,10H,7-9,16H2,1H3.
What are the key properties of [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine?
[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine has a molecular weight of 264.76 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine is sourced from PubChem (CID 62412264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).