3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline

C15H20N2O — CID 61426613

IUPAC3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline
SMILESCc1occc1CN(C)C(C)c1cccc(N)c1
InChIInChI=1S/C15H20N2O/c1-11(13-5-4-6-15(16)9-13)17(3)10-14-7-8-18-12(14)2/h4-9,11H,10,16H2,1-3H3
InChIKeyCDRADOMSAGBCBB-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.36
Rot. Bonds4

About 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline

3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline (PubChem CID 61426613) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline.

Molecular Properties

Compound Name3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline
PubChem CID61426613
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline
SMILESCc1occc1CN(C)C(C)c1cccc(N)c1
InChIInChI=1S/C15H20N2O/c1-11(13-5-4-6-15(16)9-13)17(3)10-14-7-8-18-12(14)2/h4-9,11H,10,16H2,1-3H3
InChIKeyCDRADOMSAGBCBB-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
3-[1-[(2-chloro-3-fluorophenyl)methyl-methylamino]ethyl]aniline
CID 115983058
3-[1-[(3-chloro-2-fluorophenyl)methyl-methylamino]ethyl]aniline
CID 102856240
4-[[1-(3-aminophenyl)ethyl-methylamino]methyl]-3-methylbenzonitrile
CID 114484253
3-[1-[(2,6-difluorophenyl)methyl-methylamino]ethyl]aniline
CID 114930497
3-[1-[methyl(1,3-thiazol-5-ylmethyl)amino]ethyl]aniline
CID 112640978
3-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426906
3-[1-[methyl(2-methylbutyl)amino]ethyl]aniline
CID 61262568
4-amino-2-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]phenol
CID 62979115
3-[1-[2,4-dimethylpentyl(methyl)amino]ethyl]aniline
CID 114200282
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
3-(1-aminoethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61424218

Frequently Asked Questions

What is the IUPAC name of 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline?
The IUPAC name of 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline (CID 61426613) is 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline.
What is the SMILES notation for 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline?
The canonical SMILES for 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline is Cc1occc1CN(C)C(C)c1cccc(N)c1.
What is the InChIKey of 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline?
The InChIKey is CDRADOMSAGBCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(13-5-4-6-15(16)9-13)17(3)10-14-7-8-18-12(14)2/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline?
3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline has a molecular weight of 244.34 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]aniline is sourced from PubChem (CID 61426613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).