N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

C17H24N2O2 — CID 62431366

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC1CCCCO1
InChIInChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3
InChIKeyJNDVRXMIQXWPHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds5

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 62431366) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID62431366
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC1CCCCO1
InChIInChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3
InChIKeyJNDVRXMIQXWPHD-UHFFFAOYSA-N
XLogP2.89
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591938
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-2-methylsulfanylethanamine
CID 112665490
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
1-[1-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888364
N-[(2,3-difluorophenyl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 86825135
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 8563848
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]methanamine
CID 99613583
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62431015
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
[2-[(4-methyl-1,4-diazepan-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62417858
2-fluoro-3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 107119393
N-methyl-N-[(5-methyl-2-phenyl-1H-imidazol-4-yl)methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 29116103

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 62431366) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1oc2ccccc2c1CN)CC1CCCCO1.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is JNDVRXMIQXWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62431366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).