N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine

C18H29NO — CID 103066892

IUPACN-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-14(12-19-18(5,6)7)13-20-16-10-8-9-15(11-16)17(2,3)4/h8-11,19H,1,12-13H2,2-7H3
InChIKeyQCHPLYLHTSKLKU-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.31
Rot. Bonds5

About N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine (PubChem CID 103066892) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
PubChem CID103066892
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-14(12-19-18(5,6)7)13-20-16-10-8-9-15(11-16)17(2,3)4/h8-11,19H,1,12-13H2,2-7H3
InChIKeyQCHPLYLHTSKLKU-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine
CID 103066935
N-tert-butyl-2-[(2,3-dichlorophenoxy)methyl]prop-2-en-1-amine
CID 103066835
methyl 2-(3-tert-butylphenoxy)ethanimidate
CID 95444504
N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103066757
2-[(3-fluorophenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066700
2-(3-tert-butylphenoxy)-N-(2-methylpropyl)acetamide
CID 112977536
N-ethyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066550
2-[(3-ethylphenoxy)methyl]-N-methylprop-2-en-1-amine
CID 103066426
4-(3-tert-butylphenoxy)-2-methylbutan-2-ol
CID 79359889

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine (CID 103066892) is N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1cccc(C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine?
The InChIKey is QCHPLYLHTSKLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(12-19-18(5,6)7)13-20-16-10-8-9-15(11-16)17(2,3)4/h8-11,19H,1,12-13H2,2-7H3.
What are the key properties of N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-tert-butylphenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).