N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine

C16H27NO — CID 82552720

IUPACN-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cc(C)c(CNCC)cc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-8-18-16-9-13(5)14(11-17-7-2)10-15(16)12(3)4/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyUAFLYUXBUCEXLT-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.02
Rot. Bonds7

About N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine

N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine (PubChem CID 82552720) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
PubChem CID82552720
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1cc(C)c(CNCC)cc1C(C)C
InChIInChI=1S/C16H27NO/c1-6-8-18-16-9-13(5)14(11-17-7-2)10-15(16)12(3)4/h9-10,12,17H,6-8,11H2,1-5H3
InChIKeyUAFLYUXBUCEXLT-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]ethanamine
CID 82552738
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
1-cyclopropyl-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 69279056
4-butoxy-N-ethyl-2-methyl-5-propan-2-ylaniline
CID 82552696
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
3-[[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methylamino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137210333
N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine
CID 63517061
3-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]propane-1,2-diol
CID 115122097
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 82552698
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine (CID 82552720) is N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine is CCCOc1cc(C)c(CNCC)cc1C(C)C.
What is the InChIKey of N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine?
The InChIKey is UAFLYUXBUCEXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-8-18-16-9-13(5)14(11-17-7-2)10-15(16)12(3)4/h9-10,12,17H,6-8,11H2,1-5H3.
What are the key properties of N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine?
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82552720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).