N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline

C14H18N2O — CID 55074123

IUPACN-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)Cc2cc(CN)co2)cc1
InChIInChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)16(2)9-14-7-12(8-15)10-17-14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyAQTDUIVUKIPHHK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.68
Rot. Bonds4

About N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline

N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline (PubChem CID 55074123) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
PubChem CID55074123
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)Cc2cc(CN)co2)cc1
InChIInChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)16(2)9-14-7-12(8-15)10-17-14/h3-7,10H,8-9,15H2,1-2H3
InChIKeyAQTDUIVUKIPHHK-UHFFFAOYSA-N
XLogP2.68
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)furan-2-yl]methyl]-4-ethyl-N-methylaniline
CID 62435627
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,2-dimethylpropan-1-amine
CID 62422969
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-methyl-1-thiophen-2-ylpropan-2-amine
CID 79485851
N,3-dimethyl-N-[[4-(methylaminomethyl)furan-2-yl]methyl]aniline
CID 62436032
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
[5-[[(2-chlorophenyl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 62412264
[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]furan-3-yl]methanamine
CID 55073926
N-[[4-[(cyclopropylamino)methyl]furan-2-yl]methyl]-4-fluoro-N-methylaniline
CID 62436053
N,3,5-trimethyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62463396
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939
N-[[4-(aminomethyl)furan-2-yl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 62421990
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline?
The IUPAC name of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline (CID 55074123) is N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline?
The canonical SMILES for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline is Cc1ccc(N(C)Cc2cc(CN)co2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline?
The InChIKey is AQTDUIVUKIPHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)16(2)9-14-7-12(8-15)10-17-14/h3-7,10H,8-9,15H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline?
N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline has a molecular weight of 230.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)furan-2-yl]methyl]-N,4-dimethylaniline is sourced from PubChem (CID 55074123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).