(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol

C19H28N2O3S — CID 8621370

IUPAC(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
SMILESCCOc1cc(CNCCNC[C@@H](C)O)ccc1OCc1cccs1
InChIInChI=1S/C19H28N2O3S/c1-3-23-19-11-16(13-21-9-8-20-12-15(2)22)6-7-18(19)24-14-17-5-4-10-25-17/h4-7,10-11,15,20-22H,3,8-9,12-14H2,1-2H3/t15-/m1/s1
InChIKeyVHYPEXVZJJLILG-OAHLLOKOSA-N
MW364.51 g/mol
LogP2.79
Rot. Bonds12

About (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol

(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol (PubChem CID 8621370) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
PubChem CID8621370
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol
SMILESCCOc1cc(CNCCNC[C@@H](C)O)ccc1OCc1cccs1
InChIInChI=1S/C19H28N2O3S/c1-3-23-19-11-16(13-21-9-8-20-12-15(2)22)6-7-18(19)24-14-17-5-4-10-25-17/h4-7,10-11,15,20-22H,3,8-9,12-14H2,1-2H3/t15-/m1/s1
InChIKeyVHYPEXVZJJLILG-OAHLLOKOSA-N
XLogP2.79
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-1-amine;hydrochloride
CID 17290142
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 4723249
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2-phenylethanamine
CID 4715972
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 60657605
1-[2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17055015
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 2995338
2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
CID 17331742
N-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-phenylethanamine
CID 4722179
(2R)-1-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51997036
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
1-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 17159735
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]thiophene
CID 28535748

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol (CID 8621370) is (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol is CCOc1cc(CNCCNC[C@@H](C)O)ccc1OCc1cccs1.
What is the InChIKey of (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol?
The InChIKey is VHYPEXVZJJLILG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-3-23-19-11-16(13-21-9-8-20-12-15(2)22)6-7-18(19)24-14-17-5-4-10-25-17/h4-7,10-11,15,20-22H,3,8-9,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol?
(2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol has a molecular weight of 364.51 g/mol, XLogP of 2.79, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethylamino]propan-2-ol is sourced from PubChem (CID 8621370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).