4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline

C17H22N2O — CID 115913057

IUPAC4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline
SMILESCc1ccc(CN(C)CC2(c3ccc(N)cc3)CC2)o1
InChIInChI=1S/C17H22N2O/c1-13-3-8-16(20-13)11-19(2)12-17(9-10-17)14-4-6-15(18)7-5-14/h3-8H,9-12,18H2,1-2H3
InChIKeyGFAMFNVWFIHLON-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.33
Rot. Bonds5

About 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline

4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline (PubChem CID 115913057) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline
PubChem CID115913057
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline
SMILESCc1ccc(CN(C)CC2(c3ccc(N)cc3)CC2)o1
InChIInChI=1S/C17H22N2O/c1-13-3-8-16(20-13)11-19(2)12-17(9-10-17)14-4-6-15(18)7-5-14/h3-8H,9-12,18H2,1-2H3
InChIKeyGFAMFNVWFIHLON-UHFFFAOYSA-N
XLogP3.33
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.33
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

1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65458193
4-[1-[methyl-[(5-methylfuran-2-yl)methyl]amino]ethyl]aniline
CID 61262031
4-[1-[(dimethylamino)methyl]cyclopentyl]aniline
CID 115030998
3-fluoro-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 64768655
2-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]aniline
CID 43526030
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
N-[[4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391480
N-methyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 59019765
N-[[3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]oxolan-3-yl]methyl]ethanamine
CID 62258177
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
4-[1-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]cyclopropyl]aniline
CID 112661104
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline (CID 115913057) is 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline is Cc1ccc(CN(C)CC2(c3ccc(N)cc3)CC2)o1.
What is the InChIKey of 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline?
The InChIKey is GFAMFNVWFIHLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-3-8-16(20-13)11-19(2)12-17(9-10-17)14-4-6-15(18)7-5-14/h3-8H,9-12,18H2,1-2H3.
What are the key properties of 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline?
4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline has a molecular weight of 270.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 115913057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).