N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine

C14H24N2O — CID 54808133

IUPACN'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNCC
InChIInChI=1S/C14H24N2O/c1-3-5-12-17-14-9-7-6-8-13(14)16-11-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyJLBNYAHQFGXFFL-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.89
Rot. Bonds9

About N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine

N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine (PubChem CID 54808133) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
PubChem CID54808133
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNCC
InChIInChI=1S/C14H24N2O/c1-3-5-12-17-14-9-7-6-8-13(14)16-11-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyJLBNYAHQFGXFFL-UHFFFAOYSA-N
XLogP2.89
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
N'-(2-butoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54806850
4-(2-butoxyanilino)butan-1-ol
CID 54803446
2-butoxy-N-[2-(2-chlorophenoxy)ethyl]aniline
CID 54801671
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807395
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567
N'-(2-butoxyphenyl)-N-cyclohexylethane-1,2-diamine
CID 54809931
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
2-butoxy-N-[2-(3,5-dimethylphenoxy)ethyl]aniline
CID 54801700
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
2-(2-butoxyanilino)-N-ethylacetamide
CID 54828166

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine (CID 54808133) is N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine is CCCCOc1ccccc1NCCNCC.
What is the InChIKey of N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is JLBNYAHQFGXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-12-17-14-9-7-6-8-13(14)16-11-10-15-4-2/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine?
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 54808133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).