N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine

C15H24N2O — CID 115206979

IUPACN'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(C)cc(C)c1CNCCNC1CC1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)14(15(9-11)18-3)10-16-6-7-17-13-4-5-13/h8-9,13,16-17H,4-7,10H2,1-3H3
InChIKeyKEWBIGIVZFDKDI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds7

About N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 115206979) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID115206979
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cc(C)cc(C)c1CNCCNC1CC1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)14(15(9-11)18-3)10-16-6-7-17-13-4-5-13/h8-9,13,16-17H,4-7,10H2,1-3H3
InChIKeyKEWBIGIVZFDKDI-UHFFFAOYSA-N
XLogP2.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
N-[(2-methoxy-4,6-dimethylphenyl)methyl]cyclobutanamine
CID 82493926
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-N-methylethane-1,2-diamine
CID 115195883
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
N-[(2-methoxy-4,6-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208286
N'-[(2-methoxy-4,6-dimethylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115203222
N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119043
3-(cyclopropylamino)-1-(2-methoxy-4,6-dimethylphenyl)propan-1-ol
CID 112518695
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 115244136
N-[(4-chloro-2-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 113405316
[3-[[(2-methoxy-4,6-dimethylphenyl)methylamino]methyl]oxetan-3-yl]methanol
CID 115248984

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine (CID 115206979) is N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine is COc1cc(C)cc(C)c1CNCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is KEWBIGIVZFDKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-12(2)14(15(9-11)18-3)10-16-6-7-17-13-4-5-13/h8-9,13,16-17H,4-7,10H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115206979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).