4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline

C16H22N2O — CID 63815657

IUPAC4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccoc2)ccc1CC(C)N
InChIInChI=1S/C16H22N2O/c1-12-8-16(5-4-15(12)9-13(2)17)18(3)10-14-6-7-19-11-14/h4-8,11,13H,9-10,17H2,1-3H3
InChIKeyYSVVMJRZBYGNNE-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.11
Rot. Bonds5

About 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline

4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline (PubChem CID 63815657) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline
PubChem CID63815657
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline
SMILESCc1cc(N(C)Cc2ccoc2)ccc1CC(C)N
InChIInChI=1S/C16H22N2O/c1-12-8-16(5-4-15(12)9-13(2)17)18(3)10-14-6-7-19-11-14/h4-8,11,13H,9-10,17H2,1-3H3
InChIKeyYSVVMJRZBYGNNE-UHFFFAOYSA-N
XLogP3.11
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.11
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

4-[furan-3-ylmethyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81276396
5-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylpyridin-2-amine
CID 80634374
4-(2-aminopropyl)-N-(cyclobutylmethyl)-N,3-dimethylaniline
CID 63794504
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,3-dimethylaniline
CID 63816152
4-(2-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylaniline
CID 105418560
4-(2-aminopropyl)-N,3-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63793652
2-chloro-N-(furan-3-ylmethyl)-N-methylpyridin-4-amine
CID 103756524
2-[(1R)-1-aminoethyl]-4-fluoro-N-(furan-3-ylmethyl)-N-methylaniline
CID 63369381
4-(2-aminopropyl)-N-ethyl-3-methyl-N-(2-methylpropyl)aniline
CID 55236601
2-fluoro-4-[furan-3-ylmethyl(methyl)amino]benzoic acid
CID 115485376
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline (CID 63815657) is 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline is Cc1cc(N(C)Cc2ccoc2)ccc1CC(C)N.
What is the InChIKey of 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline?
The InChIKey is YSVVMJRZBYGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-8-16(5-4-15(12)9-13(2)17)18(3)10-14-6-7-19-11-14/h4-8,11,13H,9-10,17H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline?
4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline has a molecular weight of 258.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(furan-3-ylmethyl)-N,3-dimethylaniline is sourced from PubChem (CID 63815657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).