Skip to content

N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H22ClNO2 — CID 62460996

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3
InChIKeyIAQFRYLECFEGMA-UHFFFAOYSA-N
MW307.82 g/mol
LogP4.71
Rot. Bonds5

About N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62460996) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62460996
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC NameN-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COc1cccc(Cl)c1
InChIInChI=1S/C17H22ClNO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3
InChIKeyIAQFRYLECFEGMA-UHFFFAOYSA-N
XLogP4.71
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 62460996) is N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CNC(C)(C)C)cc1COc1cccc(Cl)c1.
What is the InChIKey of N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is IAQFRYLECFEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.82 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62460996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.