N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine

C15H26N2O — CID 115226184

IUPACN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(CCN(C)CN)cc1C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-17(4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyZMDWXDGLVLQCEA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.38
Rot. Bonds5

About N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine

N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine (PubChem CID 115226184) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
PubChem CID115226184
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine
SMILESCOc1ccc(CCN(C)CN)cc1C(C)(C)C
InChIInChI=1S/C15H26N2O/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-17(4)11-16/h6-7,10H,8-9,11,16H2,1-5H3
InChIKeyZMDWXDGLVLQCEA-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(bromomethyl)-2-(3-tert-butyl-4-methoxyphenyl)-N-methylethanamine
CID 115262355
1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]methanethiol
CID 115228051
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195388
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136241
3-(3-tert-butyl-4-methoxyphenyl)propanenitrile
CID 82471944
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
CID 116859135
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetaldehyde
CID 115223039

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The IUPAC name of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine (CID 115226184) is N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The canonical SMILES for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine is COc1ccc(CCN(C)CN)cc1C(C)(C)C.
What is the InChIKey of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine?
The InChIKey is ZMDWXDGLVLQCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)13-10-12(6-7-14(13)18-5)8-9-17(4)11-16/h6-7,10H,8-9,11,16H2,1-5H3.
What are the key properties of N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine?
N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine has a molecular weight of 250.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-N'-methylmethanediamine is sourced from PubChem (CID 115226184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).