N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine

C15H26N2O — CID 115206001

IUPACN-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(CC)ccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13-6-7-15(18-3)14(12-13)8-9-17-11-10-16-5-2/h6-7,12,16-17H,4-5,8-11H2,1-3H3
InChIKeyLRVUWLUFMLFEGJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds9

About N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115206001) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
PubChem CID115206001
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1cc(CC)ccc1OC
InChIInChI=1S/C15H26N2O/c1-4-13-6-7-15(18-3)14(12-13)8-9-17-11-10-16-5-2/h6-7,12,16-17H,4-5,8-11H2,1-3H3
InChIKeyLRVUWLUFMLFEGJ-UHFFFAOYSA-N
XLogP2.00
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.00
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-ethyl-N'-[2-(5-fluoro-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115205971
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
N'-[2-(2,5-dimethoxy-4-methylphenyl)ethyl]-N-ethylethane-1,2-diamine
CID 115206014
4-(5-ethyl-2-methoxyphenyl)-N-methylbutan-2-amine
CID 112517862
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N-ethyl-2-(2-ethyl-4,5-dimethoxyphenyl)ethanamine
CID 143866494
(E)-4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]but-2-enoic acid
CID 115237281
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine (CID 115206001) is N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine is CCNCCNCCc1cc(CC)ccc1OC.
What is the InChIKey of N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is LRVUWLUFMLFEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-13-6-7-15(18-3)14(12-13)8-9-17-11-10-16-5-2/h6-7,12,16-17H,4-5,8-11H2,1-3H3.
What are the key properties of N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115206001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).