N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C17H30N2O — CID 43406710

IUPACN-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C)cc1CNCCN(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)10-9-18-12-16-11-15(5)7-8-17(16)20-6/h7-8,11,13-14,18H,9-10,12H2,1-6H3
InChIKeyXRYHIGPDCSRXMN-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.21
Rot. Bonds8

About N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43406710) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43406710
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCOc1ccc(C)cc1CNCCN(C(C)C)C(C)C
InChIInChI=1S/C17H30N2O/c1-13(2)19(14(3)4)10-9-18-12-16-11-15(5)7-8-17(16)20-6/h7-8,11,13-14,18H,9-10,12H2,1-6H3
InChIKeyXRYHIGPDCSRXMN-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.21
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

N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 119126501
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43431597
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632611
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43406710) is N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is COc1ccc(C)cc1CNCCN(C(C)C)C(C)C.
What is the InChIKey of N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is XRYHIGPDCSRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13(2)19(14(3)4)10-9-18-12-16-11-15(5)7-8-17(16)20-6/h7-8,11,13-14,18H,9-10,12H2,1-6H3.
What are the key properties of N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43406710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).