1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C17H30N2O2 — CID 43205575

IUPAC1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCOc1ccc(CNCC(C(C)C)N(C)C)cc1OC
InChIInChI=1S/C17H30N2O2/c1-7-21-16-9-8-14(10-17(16)20-6)11-18-12-15(13(2)3)19(4)5/h8-10,13,15,18H,7,11-12H2,1-6H3
InChIKeyZCCFHSBYWKPXRS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds9

About 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43205575) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43205575
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCOc1ccc(CNCC(C(C)C)N(C)C)cc1OC
InChIInChI=1S/C17H30N2O2/c1-7-21-16-9-8-14(10-17(16)20-6)11-18-12-15(13(2)3)19(4)5/h8-10,13,15,18H,7,11-12H2,1-6H3
InChIKeyZCCFHSBYWKPXRS-UHFFFAOYSA-N
XLogP2.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 60657358
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpropan-1-amine
CID 4717598
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
1-[(4-ethoxy-3-methoxyphenyl)methylamino]pentan-2-ol
CID 115623406
N-[(3-ethoxy-4-methoxyphenyl)methyl]-2,2-dimethoxyethanamine
CID 22226486
N'-[(4-ethoxy-3-methoxyphenyl)methyl]ethane-1,2-diamine
CID 60887964
1-(4-bromophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]methanamine
CID 60736257
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463346
3-ethyl-1-N-[(4-methoxy-3-methylphenyl)methyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43434722
(E)-N-[(4-ethoxy-3-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629151
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412254

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43205575) is 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is CCOc1ccc(CNCC(C(C)C)N(C)C)cc1OC.
What is the InChIKey of 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is ZCCFHSBYWKPXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-21-16-9-8-14(10-17(16)20-6)11-18-12-15(13(2)3)19(4)5/h8-10,13,15,18H,7,11-12H2,1-6H3.
What are the key properties of 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43205575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).