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

C15H26N2O — CID 115136038

IUPAC1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CN(C)CC(C)(C)N
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17(5)10-15(3,4)16/h7-8H,9-10,16H2,1-6H3
InChIKeySQWIBINFOIHBDF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.48
Rot. Bonds5

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

1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115136038) 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]-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115136038
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
SMILESCOc1c(C)cc(C)cc1CN(C)CC(C)(C)N
InChIInChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17(5)10-15(3,4)16/h7-8H,9-10,16H2,1-6H3
InChIKeySQWIBINFOIHBDF-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]-2-methylpropan-2-ol
CID 115137018
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115259441
2-chloro-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylethanamine
CID 115214945
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389
4-[(2-methoxy-3,5-dimethylphenyl)methyl-methylamino]butanenitrile
CID 115231823
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226227
1-N-[(4-tert-butyl-2-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136058
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
3-amino-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylpropanamide
CID 115152925
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-N,2-dimethyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136256
2-(2-methoxy-3,5-dimethylphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259034

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine (CID 115136038) is 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine is COc1c(C)cc(C)cc1CN(C)CC(C)(C)N.
What is the InChIKey of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is SQWIBINFOIHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-11-7-12(2)14(18-6)13(8-11)9-17(5)10-15(3,4)16/h7-8H,9-10,16H2,1-6H3.
What are the key properties of 1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine?
1-N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 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]-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115136038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).