N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine

C16H28N2O — CID 115204410

IUPACN-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCOc1cc(C)c(C)cc1CNCC(C)(C)CCN
InChIInChI=1S/C16H28N2O/c1-12-8-14(15(19-5)9-13(12)2)10-18-11-16(3,4)6-7-17/h8-9,18H,6-7,10-11,17H2,1-5H3
InChIKeyWJPXBVQFICJUEG-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.78
Rot. Bonds7

About N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine

N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204410) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
PubChem CID115204410
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCOc1cc(C)c(C)cc1CNCC(C)(C)CCN
InChIInChI=1S/C16H28N2O/c1-12-8-14(15(19-5)9-13(12)2)10-18-11-16(3,4)6-7-17/h8-9,18H,6-7,10-11,17H2,1-5H3
InChIKeyWJPXBVQFICJUEG-UHFFFAOYSA-N
XLogP2.78
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204419
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
N'-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115200085
N,N,2,2-tetramethyl-N'-[(2,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
CID 60590203
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104625291
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257865
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (CID 115204410) is N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is COc1cc(C)c(C)cc1CNCC(C)(C)CCN.
What is the InChIKey of N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The InChIKey is WJPXBVQFICJUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12-8-14(15(19-5)9-13(12)2)10-18-11-16(3,4)6-7-17/h8-9,18H,6-7,10-11,17H2,1-5H3.
What are the key properties of N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).