4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine

C14H24N2O2 — CID 116820951

IUPAC4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCOc1cccc(OCCC(N)CN(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-4-17-13-6-5-7-14(10-13)18-9-8-12(15)11-16(2)3/h5-7,10,12H,4,8-9,11,15H2,1-3H3
InChIKeyDHEPRPGDWFLBJE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.74
Rot. Bonds8

About 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine

4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine (PubChem CID 116820951) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
PubChem CID116820951
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
SMILESCCOc1cccc(OCCC(N)CN(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-4-17-13-6-5-7-14(10-13)18-9-8-12(15)11-16(2)3/h5-7,10,12H,4,8-9,11,15H2,1-3H3
InChIKeyDHEPRPGDWFLBJE-UHFFFAOYSA-N
XLogP1.74
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-(3-ethoxyphenoxy)butan-1-amine
CID 63071638
1-[2-(3-ethoxyphenoxy)ethoxy]butan-2-amine
CID 82353774
3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
(2S)-1-(3-ethoxyphenoxy)propan-2-amine
CID 79002236
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
4-(3-ethoxyphenoxy)-2-(4-fluorophenyl)butan-1-amine
CID 82138103
4-(3-ethoxyphenoxy)-N-propylbutan-2-amine
CID 62337664
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
CID 142090571

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine?
The IUPAC name of 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine (CID 116820951) is 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine is CCOc1cccc(OCCC(N)CN(C)C)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine?
The InChIKey is DHEPRPGDWFLBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-17-13-6-5-7-14(10-13)18-9-8-12(15)11-16(2)3/h5-7,10,12H,4,8-9,11,15H2,1-3H3.
What are the key properties of 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine?
4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 116820951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).