N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine

C13H22N2O — CID 82114677

IUPACN'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccccc1NCCCCN
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11,15H,5-6,9-10,14H2,1-2H3
InChIKeyYLAHATDCNVGSJJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.62
Rot. Bonds7

About N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine

N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine (PubChem CID 82114677) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
PubChem CID82114677
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
SMILESCC(C)Oc1ccccc1NCCCCN
InChIInChI=1S/C13H22N2O/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11,15H,5-6,9-10,14H2,1-2H3
InChIKeyYLAHATDCNVGSJJ-UHFFFAOYSA-N
XLogP2.62
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.62
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'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N'-butan-2-yl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54808384
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
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
N-(4-phenoxyphenyl)-N'-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805438
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
N-[2-(2-chlorophenoxy)ethyl]-2-propan-2-yloxyaniline
CID 54802475
N-pentyl-3-(2-propan-2-yloxyanilino)propanamide
CID 109032164
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000

Frequently Asked Questions

What is the IUPAC name of N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The IUPAC name of N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine (CID 82114677) is N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine is CC(C)Oc1ccccc1NCCCCN.
What is the InChIKey of N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
The InChIKey is YLAHATDCNVGSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11(2)16-13-8-4-3-7-12(13)15-10-6-5-9-14/h3-4,7-8,11,15H,5-6,9-10,14H2,1-2H3.
What are the key properties of N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine?
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 82114677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).