N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine

C15H25NO — CID 82552738

IUPACN-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C(C)C)c(OCC)cc1C
InChIInChI=1S/C15H25NO/c1-6-16-10-13-9-14(11(3)4)15(17-7-2)8-12(13)5/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyBNPDAFWRUQADTC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.63
Rot. Bonds6

About N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine

N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine (PubChem CID 82552738) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
PubChem CID82552738
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C(C)C)c(OCC)cc1C
InChIInChI=1S/C15H25NO/c1-6-16-10-13-9-14(11(3)4)15(17-7-2)8-12(13)5/h8-9,11,16H,6-7,10H2,1-5H3
InChIKeyBNPDAFWRUQADTC-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
3-[[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210333
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
1-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)butan-2-amine;hydrochloride
CID 170889656
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
N-[(5-chloro-4-ethoxy-2-methylphenyl)methyl]propan-1-amine
CID 95455460
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine (CID 82552738) is N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine is CCNCc1cc(C(C)C)c(OCC)cc1C.
What is the InChIKey of N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine?
The InChIKey is BNPDAFWRUQADTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-10-13-9-14(11(3)4)15(17-7-2)8-12(13)5/h8-9,11,16H,6-7,10H2,1-5H3.
What are the key properties of N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine?
N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 82552738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).