N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine

C17H22N2O — CID 82096405

IUPACN',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)13-12-18-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
InChIKeyOPYQHZOFKZDJBR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.24
Rot. Bonds7

About N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine (PubChem CID 82096405) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
PubChem CID82096405
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C17H22N2O/c1-19(2)13-12-18-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3
InChIKeyOPYQHZOFKZDJBR-UHFFFAOYSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(dimethylamino)ethylamino]phenyl]-4-phenylmethoxypyridin-2-one
CID 24780171
5-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
N',N'-dimethyl-N-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2966257
N-methyl-N-phenyl-3-(4-phenylmethoxyanilino)propanamide
CID 109034597
N-(2-methylpropyl)-4-phenylmethoxyaniline
CID 57172587
N-methyl-4-phenylmethoxyaniline;hydrochloride
CID 75481675
N-[[4-[2-(dimethylamino)ethylamino]phenyl]methyl]-2-phenoxyacetamide
CID 110442241
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
N',N'-dimethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 98784045
N'-benzyl-N'-methyl-N-(4-phenoxyphenyl)ethane-1,2-diamine
CID 54806685

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine (CID 82096405) is N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine is CN(C)CCNc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine?
The InChIKey is OPYQHZOFKZDJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19(2)13-12-18-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,12-14H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.24, 7 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-phenylmethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82096405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).