N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline

C18H24N2O — CID 62461802

IUPACN-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C18H24N2O/c1-13-8-14(2)10-16(9-13)20(3)12-18-7-6-17(21-18)11-19-15-4-5-15/h6-10,15,19H,4-5,11-12H2,1-3H3
InChIKeyBMPLRYVZVGSVSQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds6

About N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline

N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline (PubChem CID 62461802) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline.

Molecular Properties

Compound NameN-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline
PubChem CID62461802
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline
SMILESCc1cc(C)cc(N(C)Cc2ccc(CNC3CC3)o2)c1
InChIInChI=1S/C18H24N2O/c1-13-8-14(2)10-16(9-13)20(3)12-18-7-6-17(21-18)11-19-15-4-5-15/h6-10,15,19H,4-5,11-12H2,1-3H3
InChIKeyBMPLRYVZVGSVSQ-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

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Related Compounds

N-[[5-[(cyclopropylamino)methyl]-2-methylfuran-3-yl]methyl]-N,3-dimethylaniline
CID 62434975
N-[[5-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62431329
N-[[5-[[butan-2-yl(ethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 55074401
[5-[(cyclopropylamino)methyl]furan-2-yl]methanol
CID 20559403
N-[[5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 81067953
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62435538
N-[[5-[[2-methylpropyl(pentan-3-yl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 79490285
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N-methylaniline
CID 62438694
N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106887299
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436053
N-cyclopropyl-N'-(3,5-dimethylphenyl)-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 63495021

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline?
The IUPAC name of N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline (CID 62461802) is N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline.
What is the SMILES notation for N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline?
The canonical SMILES for N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline is Cc1cc(C)cc(N(C)Cc2ccc(CNC3CC3)o2)c1.
What is the InChIKey of N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline?
The InChIKey is BMPLRYVZVGSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-8-14(2)10-16(9-13)20(3)12-18-7-6-17(21-18)11-19-15-4-5-15/h6-10,15,19H,4-5,11-12H2,1-3H3.
What are the key properties of N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline?
N-[[5-[(cyclopropylamino)methyl]furan-2-yl]methyl]-N,3,5-trimethylaniline 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]furan-2-yl]methyl]-N,3,5-trimethylaniline is sourced from PubChem (CID 62461802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).