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

C15H26N2O — CID 115202111

IUPACN'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCCOc1ccc(CCNCCCCNC)cc1
InChIInChI=1S/C15H26N2O/c1-3-18-15-8-6-14(7-9-15)10-13-17-12-5-4-11-16-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyWYVWFVSXGGIPHC-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.22
Rot. Bonds10

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

N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine (PubChem CID 115202111) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
PubChem CID115202111
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine
SMILESCCOc1ccc(CCNCCCCNC)cc1
InChIInChI=1S/C15H26N2O/c1-3-18-15-8-6-14(7-9-15)10-13-17-12-5-4-11-16-2/h6-9,16-17H,3-5,10-13H2,1-2H3
InChIKeyWYVWFVSXGGIPHC-UHFFFAOYSA-N
XLogP2.22
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-ethoxyphenyl)ethylamino]propane-1-thiol
CID 115225112
6-(4-ethoxyphenyl)-N-propylhexan-1-amine
CID 65308945
3-(4-ethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 64503762
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
N-methyl-N'-[2-(4-methylsulfanylphenyl)ethyl]butane-1,4-diamine
CID 115202135
1-N-[2-(4-ethoxyphenyl)ethyl]propane-1,2-diamine
CID 115196776
4-chloro-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 106844226
N-[2-(4-methoxyphenyl)ethyl]heptan-1-amine
CID 43089137
methyl 2-[2-(4-ethoxyphenyl)ethylamino]acetate
CID 115233033
N-[(4-ethoxyphenyl)methyl]hexan-1-amine;hydrochloride
CID 17291090
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine?
The IUPAC name of N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine (CID 115202111) is N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine.
What is the SMILES notation for N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine?
The canonical SMILES for N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine is CCOc1ccc(CCNCCCCNC)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine?
The InChIKey is WYVWFVSXGGIPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-18-15-8-6-14(7-9-15)10-13-17-12-5-4-11-16-2/h6-9,16-17H,3-5,10-13H2,1-2H3.
What are the key properties of N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine?
N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenyl)ethyl]-N-methylbutane-1,4-diamine is sourced from PubChem (CID 115202111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).