1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine

C15H26N2O — CID 115222255

IUPAC1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17-10-15(3,4)16-5/h7-8,16-17H,9-10H2,1-6H3
InChIKeyHQVOYHVNKGAZAB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.40
Rot. Bonds6

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

1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (PubChem CID 115222255) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
PubChem CID115222255
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
SMILESCNC(C)(C)CNCc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17-10-15(3,4)16-5/h7-8,16-17H,9-10H2,1-6H3
InChIKeyHQVOYHVNKGAZAB-UHFFFAOYSA-N
XLogP2.40
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-dimethyl-1-N-[(2,4,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115222230
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
2-[(2-methoxy-3,5-dimethylphenyl)methylamino]acetic acid
CID 82494584
1-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-2-one
CID 115234729
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222275
N'-cyclopropyl-N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115206963
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
1-N-[(2-methoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222301
1-N-[(2,5-dimethoxyphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222214
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208267

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine (CID 115222255) is 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is CNC(C)(C)CNCc1cc(C)cc(C)c1OC.
What is the InChIKey of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
The InChIKey is HQVOYHVNKGAZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17-10-15(3,4)16-5/h7-8,16-17H,9-10H2,1-6H3.
What are the key properties of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine?
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115222255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).