N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine

C18H31NO — CID 63477065

IUPACN-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-15(2)10-12-20-13-11-19-14-16-6-8-17(9-7-16)18(3,4)5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyYVUARKJEQCLORJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.14
Rot. Bonds8

About N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine

N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine (PubChem CID 63477065) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
PubChem CID63477065
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
SMILESCC(C)CCOCCNCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-15(2)10-12-20-13-11-19-14-16-6-8-17(9-7-16)18(3,4)5/h6-9,15,19H,10-14H2,1-5H3
InChIKeyYVUARKJEQCLORJ-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 61171818
2-(3-methylbutoxy)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]ethanamine
CID 63476546
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
2-methoxy-N-[[4-[2-(3-methylbutoxy)ethoxy]phenyl]methyl]ethanamine
CID 63063741
2-(3-methylbutoxy)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66397924
2-[3-[(4-tert-butylphenyl)methylamino]propoxy]ethanol
CID 103992731
2-methoxy-5-[[2-(3-methylbutoxy)ethylamino]methyl]benzonitrile
CID 65340715
2-(4-tert-butylphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39454639
2-(3-methylbutoxy)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
CID 102880820
2-(3-methylbutoxy)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61483675
N-[(4-tert-butylphenyl)methyl]-2,2-dimethoxyethanamine
CID 44668483
N-[(4-chloro-3-nitrophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 78916610

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine (CID 63477065) is N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine is CC(C)CCOCCNCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine?
The InChIKey is YVUARKJEQCLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-15(2)10-12-20-13-11-19-14-16-6-8-17(9-7-16)18(3,4)5/h6-9,15,19H,10-14H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine?
N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(3-methylbutoxy)ethanamine is sourced from PubChem (CID 63477065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).