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

C15H26N2O — CID 61420132

IUPAC2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12(2)14(10-16)17(3)11-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyFIRFOOWURIOTTN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.50
Rot. Bonds7

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

2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine (PubChem CID 61420132) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
PubChem CID61420132
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-12(2)14(10-16)17(3)11-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyFIRFOOWURIOTTN-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420280
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-N-methylethane-1,2-diamine
CID 61420134
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 62436283
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
N-[(2-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 54983654
2-ethyl-N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115251757
4-amino-N-ethyl-3-[(2-methoxyphenyl)methyl-methylamino]butanamide
CID 66428224
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
1-N-[1-(2-methoxyphenyl)propan-2-yl]-1-N-methylbutane-1,2-diamine
CID 65487594

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine (CID 61420132) is 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine is CCC(C)C(CN)N(C)Cc1ccccc1OC.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The InChIKey is FIRFOOWURIOTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-12(2)14(10-16)17(3)11-13-8-6-7-9-15(13)18-4/h6-9,12,14H,5,10-11,16H2,1-4H3.
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine is sourced from PubChem (CID 61420132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).