1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

C15H26N2O — CID 43205422

IUPAC1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1cccc(CNCC(C(C)C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)15(17(3)4)11-16-10-13-7-6-8-14(9-13)18-5/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyKBIUNCWBGNDSFD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.37
Rot. Bonds7

About 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43205422) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43205422
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOc1cccc(CNCC(C(C)C)N(C)C)c1
InChIInChI=1S/C15H26N2O/c1-12(2)15(17(3)4)11-16-10-13-7-6-8-14(9-13)18-5/h6-9,12,15-16H,10-11H2,1-5H3
InChIKeyKBIUNCWBGNDSFD-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 93345240
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
3-chloro-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 65024523
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3575354
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
1-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205575
1-cyclopropyl-2-[(3-methoxyphenyl)methylamino]ethanol
CID 63294606
N-[(3-methoxyphenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60956731
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
N-(hydrazinylmethyl)-1-(3-methoxyphenyl)methanamine
CID 115260862
1-N-[(4-fluorophenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205416

Frequently Asked Questions

What is the IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43205422) is 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is COc1cccc(CNCC(C(C)C)N(C)C)c1.
What is the InChIKey of 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is KBIUNCWBGNDSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(2)15(17(3)4)11-16-10-13-7-6-8-14(9-13)18-5/h6-9,12,15-16H,10-11H2,1-5H3.
What are the key properties of 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(3-methoxyphenyl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43205422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).