N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline

C18H24N2O — CID 62434975

IUPACN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cc(CNC3CC3)oc2C)c1
InChIInChI=1S/C18H24N2O/c1-13-5-4-6-17(9-13)20(3)12-15-10-18(21-14(15)2)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11-12H2,1-3H3
InChIKeyHZCSSIHCDRVKCK-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline

N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline (PubChem CID 62434975) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
PubChem CID62434975
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)Cc2cc(CNC3CC3)oc2C)c1
InChIInChI=1S/C18H24N2O/c1-13-5-4-6-17(9-13)20(3)12-15-10-18(21-14(15)2)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11-12H2,1-3H3
InChIKeyHZCSSIHCDRVKCK-UHFFFAOYSA-N
XLogP3.78
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62435677
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-2-fluoro-N-methylaniline
CID 62435269
N-[[4-[[ethyl(methyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62419504
N-[[4-(diethylaminomethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62439401
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423023
N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline
CID 62461802
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,2-dimethyloxolan-3-amine
CID 82754162
N-[[5-methyl-4-[[methyl(1-thiophen-2-ylethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62430120
N-[[4-[[cyclopropyl(propyl)amino]methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62421982
4-[(N,3-dimethylanilino)methyl]-5-methylfuran-2-carbohydrazide
CID 63585085
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-cyclopropyl-N',2,2-trimethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 62259045

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline (CID 62434975) is N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline is Cc1cccc(N(C)Cc2cc(CNC3CC3)oc2C)c1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
The InChIKey is HZCSSIHCDRVKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-5-4-6-17(9-13)20(3)12-15-10-18(21-14(15)2)11-19-16-7-8-16/h4-6,9-10,16,19H,7-8,11-12H2,1-3H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline?
N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline has a molecular weight of 284.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62434975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).