1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine

C16H28N2O — CID 116933842

IUPAC1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCNCCCC(N)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-16(2,3)12-8-9-15(19-5)13(11-12)14(17)7-6-10-18-4/h8-9,11,14,18H,6-7,10,17H2,1-5H3
InChIKeyGPBBCIRFVBPCNR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.99
Rot. Bonds6

About 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine

1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 116933842) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
PubChem CID116933842
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCNCCCC(N)c1cc(C(C)(C)C)ccc1OC
InChIInChI=1S/C16H28N2O/c1-16(2,3)12-8-9-15(19-5)13(11-12)14(17)7-6-10-18-4/h8-9,11,14,18H,6-7,10,17H2,1-5H3
InChIKeyGPBBCIRFVBPCNR-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
1-(5-tert-butyl-2-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 116947893
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
1-(2,5-dimethoxyphenyl)-4-methylpentane-1,4-diamine
CID 116934724
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764
4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol
CID 82366989
N'-[2-(4-methoxy-3-propan-2-ylphenyl)-2-methylpropyl]ethane-1,2-diamine
CID 115195585

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine (CID 116933842) is 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine is CNCCCC(N)c1cc(C(C)(C)C)ccc1OC.
What is the InChIKey of 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is GPBBCIRFVBPCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2,3)12-8-9-15(19-5)13(11-12)14(17)7-6-10-18-4/h8-9,11,14,18H,6-7,10,17H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine?
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 116933842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).