N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

C17H24N2O2 — CID 54810139

IUPACN'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNCc1ccco1
InChIInChI=1S/C17H24N2O2/c1-2-3-12-21-17-9-5-4-8-16(17)19-11-10-18-14-15-7-6-13-20-15/h4-9,13,18-19H,2-3,10-12,14H2,1H3
InChIKeyZQMBEJTYSLTBMK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.66
Rot. Bonds10

About N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54810139) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54810139
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCCCOc1ccccc1NCCNCc1ccco1
InChIInChI=1S/C17H24N2O2/c1-2-3-12-21-17-9-5-4-8-16(17)19-11-10-18-14-15-7-6-13-20-15/h4-9,13,18-19H,2-3,10-12,14H2,1H3
InChIKeyZQMBEJTYSLTBMK-UHFFFAOYSA-N
XLogP3.66
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.66
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

N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793
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'-(3-chloro-2-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54807793
N-(2-butoxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805567

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 54810139) is N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is CCCCOc1ccccc1NCCNCc1ccco1.
What is the InChIKey of N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is ZQMBEJTYSLTBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-12-21-17-9-5-4-8-16(17)19-11-10-18-14-15-7-6-13-20-15/h4-9,13,18-19H,2-3,10-12,14H2,1H3.
What are the key properties of N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54810139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).