N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

C17H26N2O3 — CID 95159831

IUPACN-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2
InChIInChI=1S/C17H26N2O3/c1-12-6-13-7-15(20-3)8-14(17(13)22-12)9-18-10-16-11-19(2)4-5-21-16/h7-8,12,16,18H,4-6,9-11H2,1-3H3/t12-,16+/m0/s1
InChIKeyNZOVAIAKNRYKNW-BLLLJJGKSA-N
MW306.41 g/mol
LogP1.44
Rot. Bonds5

About N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine

N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (PubChem CID 95159831) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound NameN-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
PubChem CID95159831
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
SMILESCOc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2
InChIInChI=1S/C17H26N2O3/c1-12-6-13-7-15(20-3)8-14(17(13)22-12)9-18-10-16-11-19(2)4-5-21-16/h7-8,12,16,18H,4-6,9-11H2,1-3H3/t12-,16+/m0/s1
InChIKeyNZOVAIAKNRYKNW-BLLLJJGKSA-N
XLogP1.44
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(6R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95610736
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-pyrazol-1-ylethanamine
CID 95342992
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
6-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 128965049
2-ethyl-2-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]butanoic acid
CID 122128995
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95758011
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123092
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95160738
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
1-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 111468429
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The IUPAC name of N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine (CID 95159831) is N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The canonical SMILES for N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is COc1cc(CNC[C@@H]2CN(C)CCO2)c2c(c1)C[C@H](C)O2.
What is the InChIKey of N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
The InChIKey is NZOVAIAKNRYKNW-BLLLJJGKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-6-13-7-15(20-3)8-14(17(13)22-12)9-18-10-16-11-19(2)4-5-21-16/h7-8,12,16,18H,4-6,9-11H2,1-3H3/t12-,16+/m0/s1.
What are the key properties of N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine?
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine has a molecular weight of 306.41 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl]methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 95159831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).