2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol

C22H32N2O2 — CID 142915207

IUPAC2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
SMILESCOc1cccc(N(CCO)Cc2ccc(CC(C)(C)N(C)C)cc2)c1
InChIInChI=1S/C22H32N2O2/c1-22(2,23(3)4)16-18-9-11-19(12-10-18)17-24(13-14-25)20-7-6-8-21(15-20)26-5/h6-12,15,25H,13-14,16-17H2,1-5H3
InChIKeyLHUGTFDILHFTAI-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.58
Rot. Bonds9

About 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol

2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol (PubChem CID 142915207) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol.

Molecular Properties

Compound Name2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
PubChem CID142915207
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol
SMILESCOc1cccc(N(CCO)Cc2ccc(CC(C)(C)N(C)C)cc2)c1
InChIInChI=1S/C22H32N2O2/c1-22(2,23(3)4)16-18-9-11-19(12-10-18)17-24(13-14-25)20-7-6-8-21(15-20)26-5/h6-12,15,25H,13-14,16-17H2,1-5H3
InChIKeyLHUGTFDILHFTAI-UHFFFAOYSA-N
XLogP3.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
acetylene;N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915129
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
3-[3-methoxy-N-[(4-methylphenyl)methyl]anilino]propanoic acid
CID 82317360
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
2-[3-amino-N-[(4-methoxyphenyl)methyl]anilino]ethylcarbamic acid
CID 122610522
3-[N-[(3-fluorophenyl)methyl]-3-methoxyanilino]propanoic acid
CID 82320063

Frequently Asked Questions

What is the IUPAC name of 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol?
The IUPAC name of 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol (CID 142915207) is 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol.
What is the SMILES notation for 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol?
The canonical SMILES for 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol is COc1cccc(N(CCO)Cc2ccc(CC(C)(C)N(C)C)cc2)c1.
What is the InChIKey of 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol?
The InChIKey is LHUGTFDILHFTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-22(2,23(3)4)16-18-9-11-19(12-10-18)17-24(13-14-25)20-7-6-8-21(15-20)26-5/h6-12,15,25H,13-14,16-17H2,1-5H3.
What are the key properties of 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol?
2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol has a molecular weight of 356.51 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-3-methoxyanilino]ethanol is sourced from PubChem (CID 142915207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).