N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

C15H26N2O — CID 54808384

IUPACN'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCNc1ccccc1OC(C)C
InChIInChI=1S/C15H26N2O/c1-5-13(4)16-10-11-17-14-8-6-7-9-15(14)18-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyZUEXVQYZTSPFNN-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.27
Rot. Bonds8

About N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine

N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (PubChem CID 54808384) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
PubChem CID54808384
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCNc1ccccc1OC(C)C
InChIInChI=1S/C15H26N2O/c1-5-13(4)16-10-11-17-14-8-6-7-9-15(14)18-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3
InChIKeyZUEXVQYZTSPFNN-UHFFFAOYSA-N
XLogP3.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.27
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

2-(butan-2-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54829029
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
N-(3,4-dimethylphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805421
(2S)-N-[3-(2-propan-2-yloxyphenoxy)propyl]butan-2-amine
CID 2181189
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
N-[(2R)-butan-2-yl]-4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 2183255
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
2-methyl-1-(2-propan-2-yloxyanilino)propan-2-ol
CID 39246107
N-(4-hexoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808028

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine (CID 54808384) is N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is CCC(C)NCCNc1ccccc1OC(C)C.
What is the InChIKey of N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
The InChIKey is ZUEXVQYZTSPFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-13(4)16-10-11-17-14-8-6-7-9-15(14)18-12(2)3/h6-9,12-13,16-17H,5,10-11H2,1-4H3.
What are the key properties of N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine?
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54808384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).