N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine

C17H24N2O2 — CID 114729699

IUPACN-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)C1CN(C)CCO1
InChIInChI=1S/C17H24N2O2/c1-3-8-18-17(16-12-19(2)9-10-20-16)15-11-13-6-4-5-7-14(13)21-15/h4-7,11,16-18H,3,8-10,12H2,1-2H3
InChIKeyZAOGKWDUBMBPAC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.80
Rot. Bonds5

About N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine

N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 114729699) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID114729699
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2ccccc2o1)C1CN(C)CCO1
InChIInChI=1S/C17H24N2O2/c1-3-8-18-17(16-12-19(2)9-10-20-16)15-11-13-6-4-5-7-14(13)21-15/h4-7,11,16-18H,3,8-10,12H2,1-2H3
InChIKeyZAOGKWDUBMBPAC-UHFFFAOYSA-N
XLogP2.80
TPSA37.64 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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzofuran-2-yl(1,4-dioxan-2-yl)methyl]propan-1-amine
CID 105044189
N-[(3,5-dimethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093560
N-[(4-methylmorpholin-2-yl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 79095155
N-[furan-3-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092986
N-[(4-ethylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79092700
N-[(3,4-difluorophenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093467
N-[1-benzofuran-2-yl(6-bicyclo[3.1.0]hexanyl)methyl]propan-1-amine
CID 105043984
N-[(4-methylmorpholin-2-yl)-naphthalen-1-ylmethyl]ethanamine
CID 79095140
N-[(3-fluoro-5-methylphenyl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79703912
N-[(4-methylmorpholin-2-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 79093764
N-[1-(1-benzofuran-2-yl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 63091681
N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384

Frequently Asked Questions

What is the IUPAC name of N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 114729699) is N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1cc2ccccc2o1)C1CN(C)CCO1.
What is the InChIKey of N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is ZAOGKWDUBMBPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-8-18-17(16-12-19(2)9-10-20-16)15-11-13-6-4-5-7-14(13)21-15/h4-7,11,16-18H,3,8-10,12H2,1-2H3.
What are the key properties of N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine?
N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzofuran-2-yl-(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114729699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).