N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine

C20H28N2O3S — CID 119111277

IUPACN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1cc(CNC(C)CN2CCOCC2)ccc1OCc1cccs1
InChIInChI=1S/C20H28N2O3S/c1-16(14-22-7-9-24-10-8-22)21-13-17-5-6-19(20(12-17)23-2)25-15-18-4-3-11-26-18/h3-6,11-12,16,21H,7-10,13-15H2,1-2H3
InChIKeySPPGZVQRTYNLAZ-UHFFFAOYSA-N
MW376.52 g/mol
LogP3.15
Rot. Bonds9

About N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine

N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 119111277) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID119111277
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCOc1cc(CNC(C)CN2CCOCC2)ccc1OCc1cccs1
InChIInChI=1S/C20H28N2O3S/c1-16(14-22-7-9-24-10-8-22)21-13-17-5-6-19(20(12-17)23-2)25-15-18-4-3-11-26-18/h3-6,11-12,16,21H,7-10,13-15H2,1-2H3
InChIKeySPPGZVQRTYNLAZ-UHFFFAOYSA-N
XLogP3.15
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290099
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 86879709
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 6463534
N-[(5-chloro-2-methoxyphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 60958211
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125069
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179
2-fluoro-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]aniline;hydrochloride
CID 19644504
1-[4-(ethylaminomethyl)-2-methoxyphenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45240559
(2R)-1-[2-methoxy-4-[(2-methylpropylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 26405119

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine (CID 119111277) is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine is COc1cc(CNC(C)CN2CCOCC2)ccc1OCc1cccs1.
What is the InChIKey of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is SPPGZVQRTYNLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-16(14-22-7-9-24-10-8-22)21-13-17-5-6-19(20(12-17)23-2)25-15-18-4-3-11-26-18/h3-6,11-12,16,21H,7-10,13-15H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine?
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 376.52 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 119111277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).