3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride

C19H28Cl2N2O2S — CID 17289507

IUPAC3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.c1csc(COc2ccc(CNCCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H26N2O2S.2ClH/c1-3-19(24-14-1)16-23-18-6-4-17(5-7-18)15-20-8-2-9-21-10-12-22-13-11-21;;/h1,3-7,14,20H,2,8-13,15-16H2;2*1H
InChIKeyDUBPJGFIVCYTEL-UHFFFAOYSA-N
MW419.42 g/mol
LogP3.98
Rot. Bonds9

About 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride

3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride (PubChem CID 17289507) has the molecular formula C19H28Cl2N2O2S and a molecular weight of 419.42 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
PubChem CID17289507
Molecular FormulaC19H28Cl2N2O2S
Molecular Weight419.42 g/mol
Exact Mass418.12
IUPAC Name3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.c1csc(COc2ccc(CNCCCN3CCOCC3)cc2)c1
InChIInChI=1S/C19H26N2O2S.2ClH/c1-3-19(24-14-1)16-23-18-6-4-17(5-7-18)15-20-8-2-9-21-10-12-22-13-11-21;;/h1,3-7,14,20H,2,8-13,15-16H2;2*1H
InChIKeyDUBPJGFIVCYTEL-UHFFFAOYSA-N
XLogP3.98
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
N',N'-diethyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethane-1,2-diamine
CID 4723300
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
3-piperidin-1-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 28657357
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
2-(1-methyltetrazol-5-yl)sulfanyl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine;hydrochloride
CID 17331783
3-morpholin-4-yl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
CID 43433620
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride (CID 17289507) is 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride is Cl.Cl.c1csc(COc2ccc(CNCCCN3CCOCC3)cc2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride?
The InChIKey is DUBPJGFIVCYTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S.2ClH/c1-3-19(24-14-1)16-23-18-6-4-17(5-7-18)15-20-8-2-9-21-10-12-22-13-11-21;;/h1,3-7,14,20H,2,8-13,15-16H2;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride has a molecular weight of 419.42 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 17289507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).