N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C17H30N2O — CID 43192134

IUPACN'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1C(C)NCC(C)(C)CN(C)C
InChIInChI=1S/C17H30N2O/c1-13-8-9-16(20-7)15(10-13)14(2)18-11-17(3,4)12-19(5)6/h8-10,14,18H,11-12H2,1-7H3
InChIKeyZXLZDZBPINMLFY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.24
Rot. Bonds7

About N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43192134) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43192134
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCOc1ccc(C)cc1C(C)NCC(C)(C)CN(C)C
InChIInChI=1S/C17H30N2O/c1-13-8-9-16(20-7)15(10-13)14(2)18-11-17(3,4)12-19(5)6/h8-10,14,18H,11-12H2,1-7H3
InChIKeyZXLZDZBPINMLFY-UHFFFAOYSA-N
XLogP3.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262469
3-[1-(2-methoxy-5-methylphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 104536098
1-[1-(2-methoxy-5-methylphenyl)ethylamino]-4,4-dimethylpentan-2-ol
CID 103784409
N-[(2,4-dimethylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43225415
N-benzyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43177527
1,1,1-trifluoro-3-[1-(2-methoxy-5-methylphenyl)ethylamino]propan-2-ol
CID 103778660
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902912
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756686
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
1-(2-methoxy-5-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82283769

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43192134) is N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is COc1ccc(C)cc1C(C)NCC(C)(C)CN(C)C.
What is the InChIKey of N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ZXLZDZBPINMLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-13-8-9-16(20-7)15(10-13)14(2)18-11-17(3,4)12-19(5)6/h8-10,14,18H,11-12H2,1-7H3.
What are the key properties of N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-methoxy-5-methylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43192134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).