[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane

C29H49N3O2 — CID 143170053

IUPAC[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane
SMILESCC.CC(C)C.CN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C23H33N3O2.C4H10.C2H6/c1-24(2)10-11-25(17-20-6-5-7-21(16-20)19-27)18-22-8-3-4-9-23(22)26-12-14-28-15-13-26;1-4(2)3;1-2/h3-9,16,27H,10-15,17-19H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyIUNYWTVLJUTWBR-UHFFFAOYSA-N
MW471.73 g/mol
LogP5.27
Rot. Bonds9

About [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane

[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane (PubChem CID 143170053) has the molecular formula C29H49N3O2 and a molecular weight of 471.73 g/mol. Its IUPAC name is [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane.

Molecular Properties

Compound Name[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane
PubChem CID143170053
Molecular FormulaC29H49N3O2
Molecular Weight471.73 g/mol
Exact Mass471.38
IUPAC Name[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane
SMILESCC.CC(C)C.CN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C23H33N3O2.C4H10.C2H6/c1-24(2)10-11-25(17-20-6-5-7-21(16-20)19-27)18-22-8-3-4-9-23(22)26-12-14-28-15-13-26;1-4(2)3;1-2/h3-9,16,27H,10-15,17-19H2,1-2H3;4H,1-3H3;1-2H3
InChIKeyIUNYWTVLJUTWBR-UHFFFAOYSA-N
XLogP5.27
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.73
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane with MolForge

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Related Compounds

N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N'-[(2-morpholin-4-ylphenyl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120913004
1-(2-morpholin-4-ylphenyl)propan-2-ol
CID 83674895
N-methyl-2-[4-(2-methylpropyl)phenyl]-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 55416261
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
2-amino-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119836433
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
(2S)-N-(2,4-dimethylphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 25468215
N-(3-fluorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 42888083
(2R)-N-(3-chlorophenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 26381467
N,2-dimethyl-3-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]propanamide;dihydrochloride
CID 119836461

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane?
The IUPAC name of [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane (CID 143170053) is [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane.
What is the SMILES notation for [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane?
The canonical SMILES for [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane is CC.CC(C)C.CN(C)CCN(Cc1cccc(CO)c1)Cc1ccccc1N1CCOCC1.
What is the InChIKey of [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane?
The InChIKey is IUNYWTVLJUTWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2.C4H10.C2H6/c1-24(2)10-11-25(17-20-6-5-7-21(16-20)19-27)18-22-8-3-4-9-23(22)26-12-14-28-15-13-26;1-4(2)3;1-2/h3-9,16,27H,10-15,17-19H2,1-2H3;4H,1-3H3;1-2H3.
What are the key properties of [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane?
[3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane has a molecular weight of 471.73 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(dimethylamino)ethyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]phenyl]methanol;ethane;2-methylpropane is sourced from PubChem (CID 143170053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).