1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

C16H28N2O — CID 115222522

IUPAC1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1ccc(CCN(C)CC(C)(C)NC)cc1
InChIInChI=1S/C16H28N2O/c1-6-19-15-9-7-14(8-10-15)11-12-18(5)13-16(2,3)17-4/h7-10,17H,6,11-13H2,1-5H3
InChIKeyPOWZOPRSZLIBIP-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.56
Rot. Bonds8

About 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 115222522) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID115222522
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCCOc1ccc(CCN(C)CC(C)(C)NC)cc1
InChIInChI=1S/C16H28N2O/c1-6-19-15-9-7-14(8-10-15)11-12-18(5)13-16(2,3)17-4/h7-10,17H,6,11-13H2,1-5H3
InChIKeyPOWZOPRSZLIBIP-UHFFFAOYSA-N
XLogP2.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[2-(4-chlorophenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115222505
2-(4-ethoxyphenyl)-N-(hydrazinylmethyl)-N-methylethanamine
CID 115261268
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
N-[2-(4-ethoxyphenyl)ethyl]-N-methylpentan-1-amine
CID 173290456
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
3-N-[2-(4-ethoxyphenyl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120101
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257940
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
N-[(4-ethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 17206624
N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227284
3-[(4-ethoxyphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234114

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine (CID 115222522) is 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is CCOc1ccc(CCN(C)CC(C)(C)NC)cc1.
What is the InChIKey of 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is POWZOPRSZLIBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-15-9-7-14(8-10-15)11-12-18(5)13-16(2,3)17-4/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(4-ethoxyphenyl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 115222522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).