N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine

C16H28N2O — CID 115200085

IUPACN'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(CNCC(C)(C)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11-7-15(19-6)13(3)12(2)14(11)8-18-10-16(4,5)9-17/h7,18H,8-10,17H2,1-6H3
InChIKeyOWWFHLNIGTWFRK-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.69
Rot. Bonds6

About N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine

N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 115200085) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
PubChem CID115200085
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
SMILESCOc1cc(C)c(CNCC(C)(C)CN)c(C)c1C
InChIInChI=1S/C16H28N2O/c1-11-7-15(19-6)13(3)12(2)14(11)8-18-10-16(4,5)9-17/h7,18H,8-10,17H2,1-6H3
InChIKeyOWWFHLNIGTWFRK-UHFFFAOYSA-N
XLogP2.69
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-methoxy-2,3,6-trimethylphenyl)methyl]propane-1,2-diamine
CID 115196603
N-(methoxymethyl)-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115258612
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methoxy-2,3,6-trimethylphenyl)methanamine
CID 115244170
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
4-[(4-methoxy-2,3,6-trimethylphenyl)methylamino]butan-1-ol
CID 115217636
N'-(5-chloro-2-methoxy-4-methylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199799
2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116962203
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
N'-(4-methoxy-2,3,6-trimethylphenyl)methanediamine
CID 115225481
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
N'-(4-methoxy-2,3-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 115199816

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine (CID 115200085) is N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine is COc1cc(C)c(CNCC(C)(C)CN)c(C)c1C.
What is the InChIKey of N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is OWWFHLNIGTWFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-11-7-15(19-6)13(3)12(2)14(11)8-18-10-16(4,5)9-17/h7,18H,8-10,17H2,1-6H3.
What are the key properties of N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine?
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 115200085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).