4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

C15H20N2O — CID 78936162

IUPAC4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc([C@@H](C)N)cc2)o1
InChIInChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)14-7-5-13(6-8-14)12(2)16/h4-9,12H,10,16H2,1-3H3/t12-/m1/s1
InChIKeyJQIPFHIHQXWXRY-GFCCVEGCSA-N
MW244.34 g/mol
LogP3.24
Rot. Bonds4

About 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline

4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 78936162) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID78936162
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CN(C)c2ccc([C@@H](C)N)cc2)o1
InChIInChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)14-7-5-13(6-8-14)12(2)16/h4-9,12H,10,16H2,1-3H3/t12-/m1/s1
InChIKeyJQIPFHIHQXWXRY-GFCCVEGCSA-N
XLogP3.24
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.24
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-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031
4-(1-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 61415399
4-[(1R)-1-aminoethyl]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylaniline
CID 78934665
1-[4-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935182
N'-[4-(1-aminoethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63694558
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
CID 62907848
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzaldehyde
CID 55038712
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
2-fluoro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]benzenecarbothioamide
CID 115367938
N,3-dimethyl-4-(methylaminomethyl)-N-[(5-methylfuran-2-yl)methyl]aniline
CID 62135016

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline (CID 78936162) is 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CN(C)c2ccc([C@@H](C)N)cc2)o1.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is JQIPFHIHQXWXRY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-9-15(18-11)10-17(3)14-7-5-13(6-8-14)12(2)16/h4-9,12H,10,16H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline?
4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 78936162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).