N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine

C16H26N2O — CID 103637912

IUPACN'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCOc1ccccc1CNCCN(CC)C1CC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-9-10-15)12-11-17-13-14-7-5-6-8-16(14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQLLJXZXRJSBXFZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds9

About N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine

N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 103637912) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID103637912
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCOc1ccccc1CNCCN(CC)C1CC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-9-10-15)12-11-17-13-14-7-5-6-8-16(14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQLLJXZXRJSBXFZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111881642
N-[(2-ethoxyphenyl)methyl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62844288
3-[(2-ethoxyphenyl)methylamino]-N,N-diethylpropanamide
CID 60925933
N-cyclopropyl-N-ethyl-2-[2-(ethylaminomethyl)phenoxy]acetamide
CID 61487903
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
N-[(2-ethoxyphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588290
N'-cyclopropyl-N'-ethyl-N-[(5-ethylfuran-2-yl)methyl]ethane-1,2-diamine
CID 113257663
1-[2-[(2-ethoxyphenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 2967945
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-[(2-ethoxyphenyl)methyl]-2-methylguanidine
CID 111881739
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 103637912) is N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine is CCOc1ccccc1CNCCN(CC)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is QLLJXZXRJSBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(15-9-10-15)12-11-17-13-14-7-5-6-8-16(14)19-4-2/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 103637912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).