N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine

C16H28N2O — CID 115204419

IUPACN-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCCc1ccc(OC)c(CNCC(C)(C)CCN)c1
InChIInChI=1S/C16H28N2O/c1-5-13-6-7-15(19-4)14(10-13)11-18-12-16(2,3)8-9-17/h6-7,10,18H,5,8-9,11-12,17H2,1-4H3
InChIKeyLOHTUHOQUMZJHR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.72
Rot. Bonds8

About N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine

N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (PubChem CID 115204419) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
PubChem CID115204419
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
SMILESCCc1ccc(OC)c(CNCC(C)(C)CCN)c1
InChIInChI=1S/C16H28N2O/c1-5-13-6-7-15(19-4)14(10-13)11-18-12-16(2,3)8-9-17/h6-7,10,18H,5,8-9,11-12,17H2,1-4H3
InChIKeyLOHTUHOQUMZJHR-UHFFFAOYSA-N
XLogP2.72
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
N-[(2-methoxy-4,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204410
N'-[(2,5-dimethoxyphenyl)methyl]-2,2-dimethylpropane-1,3-diamine
CID 115199991
2-chloro-N-[(5-ethyl-2-methoxyphenyl)methyl]ethanamine
CID 115214822
1-(5-ethyl-2-methoxyphenyl)-N-(piperazin-1-ylmethyl)methanamine
CID 115229991
5-[(2,5-dimethoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 103897564
5-chloro-N-[(2-methoxy-5-methylphenyl)methyl]-2,2-dimethylpentan-1-amine
CID 114148941
2-amino-3-[(5-ethyl-2-methoxyphenyl)methylamino]propanoic acid
CID 115240677
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 115258035
N-(4-amino-2,2-dimethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106140185
3-[(2,2-dimethylbutylamino)methyl]-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 103461984

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The IUPAC name of N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine (CID 115204419) is N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is CCc1ccc(OC)c(CNCC(C)(C)CCN)c1.
What is the InChIKey of N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
The InChIKey is LOHTUHOQUMZJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-13-6-7-15(19-4)14(10-13)11-18-12-16(2,3)8-9-17/h6-7,10,18H,5,8-9,11-12,17H2,1-4H3.
What are the key properties of N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine?
N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-methoxyphenyl)methyl]-2,2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115204419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).