N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine

C15H24N2O — CID 115206963

IUPACN'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CNCCNC1CC1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)15(18-3)13(9-11)10-16-6-7-17-14-4-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyXLXJOOOBGUBMOX-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.15
Rot. Bonds7

About N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine

N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine (PubChem CID 115206963) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
PubChem CID115206963
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CNCCNC1CC1
InChIInChI=1S/C15H24N2O/c1-11-8-12(2)15(18-3)13(9-11)10-16-6-7-17-14-4-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3
InChIKeyXLXJOOOBGUBMOX-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-methoxy-4,6-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206979
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267
N'-cyclopropyl-N-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115207098
N-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]cyclopropanamine
CID 96661815
N-cyclopropyl-N'-(4-methoxy-2,3,5-trimethylphenyl)ethane-1,2-diamine
CID 115206741
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
N'-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 112690313
N-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]cyclobutanamine
CID 96678019
N-[(2-chloro-4-methoxyphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115206971

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine (CID 115206963) is N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine is COc1c(C)cc(C)cc1CNCCNC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is XLXJOOOBGUBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-8-12(2)15(18-3)13(9-11)10-16-6-7-17-14-4-5-14/h8-9,14,16-17H,4-7,10H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine?
N'-cyclopropyl-N-[(2-methoxy-3,5-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-3,5-dimethylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 115206963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).