1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine

C16H28N2O — CID 116905584

IUPAC1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCCOc1ccc(C(CCC(C)N)N(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-6-19-16-10-8-14(11-12(16)2)15(18(4)5)9-7-13(3)17/h8,10-11,13,15H,6-7,9,17H2,1-5H3
InChIKeyDFKSYUQFDUOCTA-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine

1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine (PubChem CID 116905584) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
PubChem CID116905584
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
SMILESCCOc1ccc(C(CCC(C)N)N(C)C)cc1C
InChIInChI=1S/C16H28N2O/c1-6-19-16-10-8-14(11-12(16)2)15(18(4)5)9-7-13(3)17/h8,10-11,13,15H,6-7,9,17H2,1-5H3
InChIKeyDFKSYUQFDUOCTA-UHFFFAOYSA-N
XLogP3.12
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
1-(4-ethoxy-3-methylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948083
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
1-(4-ethoxy-3-methylphenyl)-N-methylethanamine
CID 82491203
(4-ethoxy-3-methylphenyl)-methoxymethanamine
CID 116947277
1-(4-ethoxy-3-methylphenyl)butane-1,4-diamine
CID 116933717
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116911710
1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
CID 116911342
1-(4-ethoxy-3-methylphenyl)-N,N'-dimethylmethanediamine
CID 116954340

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine (CID 116905584) is 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine is CCOc1ccc(C(CCC(C)N)N(C)C)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
The InChIKey is DFKSYUQFDUOCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-19-16-10-8-14(11-12(16)2)15(18(4)5)9-7-13(3)17/h8,10-11,13,15H,6-7,9,17H2,1-5H3.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine?
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 116905584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).