N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine

C15H24N2O — CID 115206845

IUPACN-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCNC2CC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-15(18-4)12(2)9-14(11)17(3)8-7-16-13-5-6-13/h9-10,13,16H,5-8H2,1-4H3
InChIKeyVFSFDETXFDGXSB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.50
Rot. Bonds6

About N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine

N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 115206845) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
PubChem CID115206845
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1cc(C)c(N(C)CCNC2CC2)cc1C
InChIInChI=1S/C15H24N2O/c1-11-10-15(18-4)12(2)9-14(11)17(3)8-7-16-13-5-6-13/h9-10,13,16H,5-8H2,1-4H3
InChIKeyVFSFDETXFDGXSB-UHFFFAOYSA-N
XLogP2.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
N'-(2-methoxyphenyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 62555730
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 115206884
N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
N-[2-(2,4,5-trimethylphenoxy)ethyl]cyclopropanamine
CID 45097626
N-cyclopropyl-N'-[2-(4-methoxy-3-methylphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 115207128
5-(4-methoxy-N,2,5-trimethylanilino)pentan-2-one
CID 115236337
N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
CID 98017163
N-(2-chloroethyl)-4,5-dimethoxy-N,2-dimethylaniline
CID 115214735
2-(4,5-dimethoxy-N,2-dimethylanilino)ethanethiol
CID 115223827
N'-(4,5-dimethoxy-2-methylphenyl)-N'-methylethane-1,2-diamine
CID 96672674

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine (CID 115206845) is N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine is COc1cc(C)c(N(C)CCNC2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is VFSFDETXFDGXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-10-15(18-4)12(2)9-14(11)17(3)8-7-16-13-5-6-13/h9-10,13,16H,5-8H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine?
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 115206845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).