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

C21H30N2O3 — CID 2966257

IUPACN',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H30N2O3/c1-23(2)14-12-22-13-15-24-16-17-25-20-8-10-21(11-9-20)26-18-19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3
InChIKeyWRRVSFFOFVIDDP-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.81
Rot. Bonds13

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

N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 2966257) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID2966257
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCN(C)CCNCCOCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H30N2O3/c1-23(2)14-12-22-13-15-24-16-17-25-20-8-10-21(11-9-20)26-18-19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3
InChIKeyWRRVSFFOFVIDDP-UHFFFAOYSA-N
XLogP2.81
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
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-[2-[(4-bromophenyl)methoxy]ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82825733
N-[2-[2-[4-[(4-phenylmethoxyphenyl)methoxy]phenoxy]ethoxy]ethyl]cyclopentanamine
CID 171349576
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212
1-(4-phenylmethoxyphenyl)sulfonyl-4-[2-[2-[2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]ethoxy]ethoxy]ethoxy]benzene
CID 139826974
1-phenylmethoxy-4-propoxybenzene
CID 10728874
N-[2-(2-phenoxyethoxy)ethyl]hexan-1-amine
CID 62564835
1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine (CID 2966257) is N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine is CN(C)CCNCCOCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is WRRVSFFOFVIDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-23(2)14-12-22-13-15-24-16-17-25-20-8-10-21(11-9-20)26-18-19-6-4-3-5-7-19/h3-11,22H,12-18H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 358.48 g/mol, XLogP of 2.81, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).