N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

C14H24N2O — CID 54807228

IUPACN'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CNCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-10-9-15-11-12-5-7-13(17-4)8-6-12/h5-8,15-16H,9-11H2,1-4H3
InChIKeyRTHNZWNZTNBZKZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.17
Rot. Bonds6

About N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine

N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 54807228) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID54807228
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1ccc(CNCCNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-14(2,3)16-10-9-15-11-12-5-7-13(17-4)8-6-12/h5-8,15-16H,9-11H2,1-4H3
InChIKeyRTHNZWNZTNBZKZ-UHFFFAOYSA-N
XLogP2.17
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.17
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

N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
2-[(4-methoxyphenyl)methylamino]ethanethiol
CID 14306201
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259
2-[(4-methoxyphenyl)methylamino]ethanol;hydrochloride
CID 17292349
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
N-[(4-methoxyphenyl)methyl]-2-methylsulfanylethanamine
CID 60658332
N'-tert-butyl-N-[(3,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 115572730
N-[(4-methoxyphenyl)methyl]-2-(4-methylphenyl)ethanamine
CID 16753278
N'-tert-butyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]ethane-1,2-diamine
CID 20601070
2-[(4-methoxyphenyl)methylamino]ethylurea
CID 83110239
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine (CID 54807228) is N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is COc1ccc(CNCCNC(C)(C)C)cc1.
What is the InChIKey of N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is RTHNZWNZTNBZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)16-10-9-15-11-12-5-7-13(17-4)8-6-12/h5-8,15-16H,9-11H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[(4-methoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 54807228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).