N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine

C18H24N2O — CID 2966313

IUPACN',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)14-12-19-13-15-21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3
InChIKeyTWKSPPWABGWIKG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.88
Rot. Bonds8

About N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine

N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine (PubChem CID 2966313) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
PubChem CID2966313
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H24N2O/c1-20(2)14-12-19-13-15-21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3
InChIKeyTWKSPPWABGWIKG-UHFFFAOYSA-N
XLogP2.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.88
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
N,N-dimethyl-8-(4-phenylphenoxy)octan-1-amine
CID 21281384
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2966257
N',N'-dimethyl-N-[4-(4-methylphenoxy)butyl]ethane-1,2-diamine
CID 82097769
N-[2-(4-methylphenoxy)ethyl]-2-phenoxyethanamine;hydrochloride
CID 18793114
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
N-methyl-N-[2-(4-phenylphenoxy)ethyl]aniline
CID 54260690
N-[2-(3,5-dimethoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 62598284
2-(4-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]ethanamine
CID 18793139
N',N'-dimethyl-N-(2-quinolin-7-yloxyethyl)ethane-1,2-diamine
CID 107315215
N-[2-(4-chloro-3-fluorophenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82727158

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine (CID 2966313) is N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine is CN(C)CCNCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine?
The InChIKey is TWKSPPWABGWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-20(2)14-12-19-13-15-21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine has a molecular weight of 284.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2966313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).