1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C16H28N2O — CID 43431597

IUPAC1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(C)cc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)15(18(4)5)11-17-10-14-9-13(3)7-8-16(14)19-6/h7-9,12,15,17H,10-11H2,1-6H3
InChIKeyMMYMEVBAVXQUFE-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.68
Rot. Bonds7

About 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43431597) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43431597
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1ccc(C)cc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C16H28N2O/c1-12(2)15(18(4)5)11-17-10-14-9-13(3)7-8-16(14)19-6/h7-9,12,15,17H,10-11H2,1-6H3
InChIKeyMMYMEVBAVXQUFE-UHFFFAOYSA-N
XLogP2.68
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252463
2-cyclopropyl-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 115592635
2-N-[(2-methoxy-5-methylphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945252
N-[(2-methoxy-5-methylphenyl)methyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43406710
2-N,2-N,3-trimethyl-1-N-[(4-methylphenyl)methyl]butane-1,2-diamine
CID 18804091
N-[(2-methoxy-5-methylphenyl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 46823346
N-[(2-methoxy-5-methylphenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588261
N-[(2-methoxy-5-methylphenyl)methyl]-4-methylpentan-1-amine
CID 60744416
2-amino-3-[(2-methoxy-5-methylphenyl)methylamino]propanoic acid
CID 115240648
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
3-methoxy-N-[(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 43406573
N-[(2-methoxy-5-methylphenyl)methyl]-2-methylsulfanylethanamine
CID 60663713

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43431597) is 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is COc1ccc(C)cc1CNCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is MMYMEVBAVXQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)15(18(4)5)11-17-10-14-9-13(3)7-8-16(14)19-6/h7-9,12,15,17H,10-11H2,1-6H3.
What are the key properties of 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-5-methylphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43431597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).