N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine

C16H26N2O — CID 62384515

IUPACN-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)C1CCOCC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-6-4-13(2)5-7-15)16(12-17)14-8-10-19-11-9-14/h4-7,14,16H,3,8-12,17H2,1-2H3
InChIKeyWHJUPUXLGOFLNO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds5

About N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine

N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62384515) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62384515
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCN(c1ccc(C)cc1)C(CN)C1CCOCC1
InChIInChI=1S/C16H26N2O/c1-3-18(15-6-4-13(2)5-7-15)16(12-17)14-8-10-19-11-9-14/h4-7,14,16H,3,8-12,17H2,1-2H3
InChIKeyWHJUPUXLGOFLNO-UHFFFAOYSA-N
XLogP2.58
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-1-(oxan-4-yl)-N-phenylethane-1,2-diamine
CID 64585381
N-methyl-1-(oxan-4-yl)-N-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79476272
2-N-ethyl-3,3-dimethyl-2-N-(4-methylphenyl)butane-1,2-diamine
CID 62001435
N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386855
3-(4-methylphenoxy)-2-(oxan-4-yl)propan-1-amine
CID 117239353
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 62386127
N-methyl-1-(oxan-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62385581
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-ethyl-N-(furan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61423393
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine (CID 62384515) is N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine is CCN(c1ccc(C)cc1)C(CN)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is WHJUPUXLGOFLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(15-6-4-13(2)5-7-15)16(12-17)14-8-10-19-11-9-14/h4-7,14,16H,3,8-12,17H2,1-2H3.
What are the key properties of N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine?
N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62384515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).