N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine

C16H28N2O2 — CID 107445342

IUPACN'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
SMILESCOCCOCc1cccc(NCCNC(C)(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)18-9-8-17-15-7-5-6-14(12-15)13-20-11-10-19-4/h5-7,12,17-18H,8-11,13H2,1-4H3
InChIKeySPANCDBDFGJFKN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.65
Rot. Bonds9

About N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine

N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine (PubChem CID 107445342) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
PubChem CID107445342
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
SMILESCOCCOCc1cccc(NCCNC(C)(C)C)c1
InChIInChI=1S/C16H28N2O2/c1-16(2,3)18-9-8-17-15-7-5-6-14(12-15)13-20-11-10-19-4/h5-7,12,17-18H,8-11,13H2,1-4H3
InChIKeySPANCDBDFGJFKN-UHFFFAOYSA-N
XLogP2.65
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(2-methoxyethoxymethyl)benzene
CID 14086847
3-(2-methoxyethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759745
3-(chloromethyl)-N-[2-(2-methoxyethoxy)ethyl]aniline
CID 65023623
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
3-(2-methoxyethoxymethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171806
3-(2-methoxyethoxymethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761310
3-[2-(2-methoxyethoxy)ethylamino]phenol
CID 3022408
N-(3-ethoxypropyl)-3-(methoxymethyl)aniline
CID 65175337
3-amino-2-methoxy-N-[3-(2-methoxyethoxymethyl)phenyl]propanamide
CID 106111842
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722
N-(2,4-dimethylcyclohexyl)-3-(2-methoxyethoxymethyl)aniline
CID 64761884
N-(2-tert-butylsulfanylethyl)-3-(methoxymethyl)aniline
CID 114271274

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine (CID 107445342) is N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine is COCCOCc1cccc(NCCNC(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine?
The InChIKey is SPANCDBDFGJFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)18-9-8-17-15-7-5-6-14(12-15)13-20-11-10-19-4/h5-7,12,17-18H,8-11,13H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine?
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 107445342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).