N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline

C17H22N2O2 — CID 62428787

IUPACN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1ccoc1CNC1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-5-3-4-6-16(15)20-2)12-13-9-10-21-17(13)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3
InChIKeyGXZTUULKPFBMPB-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.18
Rot. Bonds7

About N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline

N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline (PubChem CID 62428787) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
PubChem CID62428787
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline
SMILESCOc1ccccc1N(C)Cc1ccoc1CNC1CC1
InChIInChI=1S/C17H22N2O2/c1-19(15-5-3-4-6-16(15)20-2)12-13-9-10-21-17(13)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3
InChIKeyGXZTUULKPFBMPB-UHFFFAOYSA-N
XLogP3.18
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)furan-3-yl]methyl]-2-methoxy-N-methylaniline
CID 62428788
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-methoxy-N-methylaniline
CID 62429145
N-[[3-[[2-methoxyethyl(methyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62447659
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-3-fluoro-N-methylaniline
CID 62435496
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62555730
N-cyclopropyl-2-ethyl-N'-(2-methoxyphenyl)-N',2-dimethylpropane-1,3-diamine
CID 62260608
N-[[3-(2-methylpropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62446253
N-[[3-[2-(dimethylamino)ethoxymethyl]furan-2-yl]methyl]cyclopropanamine
CID 62460189
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethylcyclopentanamine
CID 62422317
N-[[3-[[(3-bromophenyl)methyl-methylamino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 62463416
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-N-ethyl-3-methylaniline
CID 62426937
N-[[3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]furan-2-yl]methyl]cyclopropanamine
CID 64522663

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline?
The IUPAC name of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline (CID 62428787) is N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline.
What is the SMILES notation for N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline?
The canonical SMILES for N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline is COc1ccccc1N(C)Cc1ccoc1CNC1CC1.
What is the InChIKey of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline?
The InChIKey is GXZTUULKPFBMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-5-3-4-6-16(15)20-2)12-13-9-10-21-17(13)11-18-14-7-8-14/h3-6,9-10,14,18H,7-8,11-12H2,1-2H3.
What are the key properties of N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline?
N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(cyclopropylamino)methyl]furan-3-yl]methyl]-2-methoxy-N-methylaniline is sourced from PubChem (CID 62428787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).