N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine

C15H24N2O — CID 115206741

IUPACN-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
SMILESCOc1c(C)cc(NCCNC2CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-9-14(11(2)12(3)15(10)18-4)17-8-7-16-13-5-6-13/h9,13,16-17H,5-8H2,1-4H3
InChIKeyLNNLZLHJRCIREZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.78
Rot. Bonds6

About N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine

N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine (PubChem CID 115206741) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
PubChem CID115206741
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
SMILESCOc1c(C)cc(NCCNC2CC2)c(C)c1C
InChIInChI=1S/C15H24N2O/c1-10-9-14(11(2)12(3)15(10)18-4)17-8-7-16-13-5-6-13/h9,13,16-17H,5-8H2,1-4H3
InChIKeyLNNLZLHJRCIREZ-UHFFFAOYSA-N
XLogP2.78
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)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

3-(4-methoxy-2,3,5-trimethylanilino)propane-1-thiol
CID 115224602
4-methoxy-N-(methoxymethyl)-2,3,5-trimethylaniline
CID 115258230
N-[3-(4-methoxy-3,5-dimethylphenyl)-3-methylbutyl]cyclopropanamine
CID 83068383
N-cyclopropyl-N'-(3,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 115206789
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-[2-[2-(4-methoxy-3,5-dimethylphenyl)ethoxy]ethyl]cyclopropanamine
CID 83068746
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
2-amino-3-(4-methoxy-2,3,5-trimethylanilino)propanoic acid
CID 115240470

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine (CID 115206741) is N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine is COc1c(C)cc(NCCNC2CC2)c(C)c1C.
What is the InChIKey of N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is LNNLZLHJRCIREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-9-14(11(2)12(3)15(10)18-4)17-8-7-16-13-5-6-13/h9,13,16-17H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115206741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).