N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine

C15H26N2O — CID 115201808

IUPACN'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCOc1ccc(N(C)CCCCNC)cc1C
InChIInChI=1S/C15H26N2O/c1-5-18-15-9-8-14(12-13(15)2)17(4)11-7-6-10-16-3/h8-9,12,16H,5-7,10-11H2,1-4H3
InChIKeyAQABWXRFYGVURG-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.83
Rot. Bonds8

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

N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115201808) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID115201808
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCCOc1ccc(N(C)CCCCNC)cc1C
InChIInChI=1S/C15H26N2O/c1-5-18-15-9-8-14(12-13(15)2)17(4)11-7-6-10-16-3/h8-9,12,16H,5-7,10-11H2,1-4H3
InChIKeyAQABWXRFYGVURG-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
N'-(3-chloro-4-ethoxyphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197783
4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
3-(4-ethoxy-3-methylphenyl)-N-methylpropan-1-amine
CID 95439947
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257768
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
CID 115229889

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine (CID 115201808) is N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine is CCOc1ccc(N(C)CCCCNC)cc1C.
What is the InChIKey of N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is AQABWXRFYGVURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-18-15-9-8-14(12-13(15)2)17(4)11-7-6-10-16-3/h8-9,12,16H,5-7,10-11H2,1-4H3.
What are the key properties of N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115201808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).