N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine

C18H32N2O — CID 170041941

IUPACN-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-19(5)12-13-20(6)14-16-8-10-17(11-9-16)15-21-18(2,3)4/h8-11H,7,12-15H2,1-6H3
InChIKeyHDTOVBWRSXBDQL-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.39
Rot. Bonds8

About N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine

N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine (PubChem CID 170041941) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine
PubChem CID170041941
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine
SMILESCCN(C)CCN(C)Cc1ccc(COC(C)(C)C)cc1
InChIInChI=1S/C18H32N2O/c1-7-19(5)12-13-20(6)14-16-8-10-17(11-9-16)15-21-18(2,3)4/h8-11H,7,12-15H2,1-6H3
InChIKeyHDTOVBWRSXBDQL-UHFFFAOYSA-N
XLogP3.39
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
N-ethyl-N,N'-dimethyl-N'-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 155750962
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
[4-[[ethyl(methyl)amino]methyl]phenyl]methyl-trimethylazanium
CID 22889878
N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 58837038
N-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzamide
CID 138647840
N-methyl-2-propan-2-yloxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]ethanamine
CID 174181431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine (CID 170041941) is N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine is CCN(C)CCN(C)Cc1ccc(COC(C)(C)C)cc1.
What is the InChIKey of N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine?
The InChIKey is HDTOVBWRSXBDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-7-19(5)12-13-20(6)14-16-8-10-17(11-9-16)15-21-18(2,3)4/h8-11H,7,12-15H2,1-6H3.
What are the key properties of N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine?
N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,N'-dimethyl-N'-[[4-[(2-methylpropan-2-yl)oxymethyl]phenyl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 170041941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).