N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine

C14H24N2O2 — CID 54807795

IUPACN'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNC(C)(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-9-8-15-12-10-11(17-4)6-7-13(12)18-5/h6-7,10,15-16H,8-9H2,1-5H3
InChIKeyXDMFHXVTFQZEEZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.50
Rot. Bonds6

About N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine

N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 54807795) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID54807795
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(OC)c(NCCNC(C)(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-14(2,3)16-9-8-15-12-10-11(17-4)6-7-13(12)18-5/h6-7,10,15-16H,8-9H2,1-5H3
InChIKeyXDMFHXVTFQZEEZ-UHFFFAOYSA-N
XLogP2.50
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 103033084
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
N-(2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28575908
2,5-dimethoxy-N-(3-methylbut-3-enyl)aniline
CID 114471918
5-(2,5-dimethoxyanilino)pentanenitrile
CID 60680727
N-(3-chloro-2-methylphenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54807475
N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54806452
N'-(2,5-dimethoxyphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807830
N'-(2,5-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 54807586
N'-(2,5-dimethoxyphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 54807445

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine (CID 54807795) is N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(OC)c(NCCNC(C)(C)C)c1.
What is the InChIKey of N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is XDMFHXVTFQZEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)16-9-8-15-12-10-11(17-4)6-7-13(12)18-5/h6-7,10,15-16H,8-9H2,1-5H3.
What are the key properties of N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,5-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54807795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).