N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine

C16H28N2O — CID 115201080

IUPACN'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CCCCN)cc1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-12-13(8-9-15(14)19-5)18(4)11-7-6-10-17/h8-9,12H,6-7,10-11,17H2,1-5H3
InChIKeyVIASGXPDDQKBQH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.17
Rot. Bonds6

About N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine

N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 115201080) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
PubChem CID115201080
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CCCCN)cc1C(C)(C)C
InChIInChI=1S/C16H28N2O/c1-16(2,3)14-12-13(8-9-15(14)19-5)18(4)11-7-6-10-17/h8-9,12H,6-7,10-11,17H2,1-5H3
InChIKeyVIASGXPDDQKBQH-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
2-N-(3-tert-butyl-4-methoxyphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131743
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
1-N-(4-methoxy-3-methylphenyl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205218
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
CID 115226184
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
N-(3-tert-butyl-4-methoxyphenyl)-N-methylcarbamoyl bromide
CID 115193388
N'-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201775
2-(3-tert-butyl-4-methoxyphenoxy)ethanamine
CID 96672635
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
4-(4-tert-butyl-5-methoxy-2-methylphenyl)butan-1-amine
CID 117377717

Frequently Asked Questions

What is the IUPAC name of N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine (CID 115201080) is N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine is COc1ccc(N(C)CCCCN)cc1C(C)(C)C.
What is the InChIKey of N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is VIASGXPDDQKBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)14-12-13(8-9-15(14)19-5)18(4)11-7-6-10-17/h8-9,12H,6-7,10-11,17H2,1-5H3.
What are the key properties of N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine?
N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 115201080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).