3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride

C17H30Cl2N2O4 — CID 6457021

IUPAC3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
SMILESCOc1ccc(CNCCCN2CCOCC2)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C17H28N2O4.2ClH/c1-20-15-6-5-14(16(21-2)17(15)22-3)13-18-7-4-8-19-9-11-23-12-10-19;;/h5-6,18H,4,7-13H2,1-3H3;2*1H
InChIKeyKADJDUQCNGOLGU-UHFFFAOYSA-N
MW397.34 g/mol
LogP2.37
Rot. Bonds9

About 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride

3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride (PubChem CID 6457021) has the molecular formula C17H30Cl2N2O4 and a molecular weight of 397.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
PubChem CID6457021
Molecular FormulaC17H30Cl2N2O4
Molecular Weight397.34 g/mol
Exact Mass396.16
IUPAC Name3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
SMILESCOc1ccc(CNCCCN2CCOCC2)c(OC)c1OC.Cl.Cl
InChIInChI=1S/C17H28N2O4.2ClH/c1-20-15-6-5-14(16(21-2)17(15)22-3)13-18-7-4-8-19-9-11-23-12-10-19;;/h5-6,18H,4,7-13H2,1-3H3;2*1H
InChIKeyKADJDUQCNGOLGU-UHFFFAOYSA-N
XLogP2.37
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
4-[(2,3,4-trimethoxyphenyl)methyl]morpholine
CID 782614
1-[4-(morpholin-4-ylmethyl)phenyl]-N-[(2,3,4-trimethoxyphenyl)methyl]methanamine
CID 17418891
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289346
2-[2-methoxy-6-[(3-morpholin-4-ylpropylamino)methyl]phenoxy]acetamide
CID 17053298
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[(2-methoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine chloride
CID 53350960
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110971584
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241589

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride (CID 6457021) is 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride is COc1ccc(CNCCCN2CCOCC2)c(OC)c1OC.Cl.Cl.
What is the InChIKey of 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride?
The InChIKey is KADJDUQCNGOLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4.2ClH/c1-20-15-6-5-14(16(21-2)17(15)22-3)13-18-7-4-8-19-9-11-23-12-10-19;;/h5-6,18H,4,7-13H2,1-3H3;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride has a molecular weight of 397.34 g/mol, XLogP of 2.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 6457021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).