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

C15H26N2O — CID 115200968

IUPACN'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCCCN
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-7-8-14(18-4)13(11-12)17-10-6-5-9-16/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyOGIRNECTJCGCII-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.14
Rot. Bonds6

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

N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine (PubChem CID 115200968) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
PubChem CID115200968
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(C(C)(C)C)cc1NCCCCN
InChIInChI=1S/C15H26N2O/c1-15(2,3)12-7-8-14(18-4)13(11-12)17-10-6-5-9-16/h7-8,11,17H,5-6,9-10,16H2,1-4H3
InChIKeyOGIRNECTJCGCII-UHFFFAOYSA-N
XLogP3.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(5-tert-butyl-2-methoxyphenyl)ethane-1,2-diamine
CID 96672535
3-(5-tert-butyl-2-methoxyanilino)propane-1-thiol
CID 115224564
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
N'-(5-tert-butyl-2-methoxyphenyl)-N-cyclopropylethane-1,2-diamine
CID 115206704
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
1-N-(5-tert-butyl-2-methoxyphenyl)propane-1,2-diamine
CID 115196249
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
3-(3-aminopropylamino)-4-methoxybenzonitrile
CID 106951112
5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
N'-(3-bromo-2,4-dimethoxyphenyl)propane-1,3-diamine
CID 103523756

Frequently Asked Questions

What is the IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine?
The IUPAC name of N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine (CID 115200968) is N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine is COc1ccc(C(C)(C)C)cc1NCCCCN.
What is the InChIKey of N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine?
The InChIKey is OGIRNECTJCGCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)12-7-8-14(18-4)13(11-12)17-10-6-5-9-16/h7-8,11,17H,5-6,9-10,16H2,1-4H3.
What are the key properties of N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine?
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 115200968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).