N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine

C14H24N2O — CID 54807112

IUPACN'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNC(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-17-13-8-6-7-12(11-13)15-9-10-16-14(2,3)4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyQWRHGNPDRJNCCL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.89
Rot. Bonds6

About N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 54807112) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
PubChem CID54807112
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine
SMILESCCOc1cccc(NCCNC(C)(C)C)c1
InChIInChI=1S/C14H24N2O/c1-5-17-13-8-6-7-12(11-13)15-9-10-16-14(2,3)4/h6-8,11,15-16H,5,9-10H2,1-4H3
InChIKeyQWRHGNPDRJNCCL-UHFFFAOYSA-N
XLogP2.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808097
N'-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 54808363
3-ethoxy-N-propylaniline
CID 54800867
N-tert-butyl-3-ethoxyaniline
CID 58745523
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611
4-[3-[2-(tert-butylamino)ethylamino]phenoxy]butanenitrile
CID 107445357
N'-(3,4-dichlorophenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54805983
N'-(3-ethoxyphenyl)-N-(4-propoxyphenyl)ethane-1,2-diamine
CID 54808068
3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N'-tert-butyl-N-(4-ethoxy-2-methylphenyl)ethane-1,2-diamine
CID 107445377
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine (CID 54807112) is N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine is CCOc1cccc(NCCNC(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is QWRHGNPDRJNCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-17-13-8-6-7-12(11-13)15-9-10-16-14(2,3)4/h6-8,11,15-16H,5,9-10H2,1-4H3.
What are the key properties of N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(3-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).