N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine

C15H26N2O — CID 82097769

IUPACN',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
SMILESCc1ccc(OCCCCNCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-14-6-8-15(9-7-14)18-13-5-4-10-16-11-12-17(2)3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyJFCNVMPSAOKIRA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.31
Rot. Bonds9

About N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine

N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine (PubChem CID 82097769) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
PubChem CID82097769
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
SMILESCc1ccc(OCCCCNCCN(C)C)cc1
InChIInChI=1S/C15H26N2O/c1-14-6-8-15(9-7-14)18-13-5-4-10-16-11-12-17(2)3/h6-9,16H,4-5,10-13H2,1-3H3
InChIKeyJFCNVMPSAOKIRA-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
N',N'-dimethyl-N-[2-(4-propoxyphenoxy)ethyl]ethane-1,2-diamine
CID 60686693
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
1-[3-(dimethylamino)propyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970015
N',N'-dimethyl-N-[4-(3-nitrophenoxy)butyl]ethane-1,2-diamine
CID 2966104
1,3-bis[4-(4-methylphenoxy)butyl]urea
CID 47093546
N,N-dimethyl-2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]ethanamine
CID 118464703
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine (CID 82097769) is N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine is Cc1ccc(OCCCCNCCN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine?
The InChIKey is JFCNVMPSAOKIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14-6-8-15(9-7-14)18-13-5-4-10-16-11-12-17(2)3/h6-9,16H,4-5,10-13H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine is sourced from PubChem (CID 82097769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).