N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine

C15H25NO2 — CID 54804735

IUPACN-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(C)C)cc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-6-16-10-13-7-8-14(17-11(2)3)9-15(13)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyFLJQVBKOEMQKQC-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.37
Rot. Bonds7

About N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine

N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine (PubChem CID 54804735) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
PubChem CID54804735
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC(C)C)cc1OC(C)C
InChIInChI=1S/C15H25NO2/c1-6-16-10-13-7-8-14(17-11(2)3)9-15(13)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3
InChIKeyFLJQVBKOEMQKQC-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-propan-2-yloxyphenyl)methyl]ethanamine
CID 82553016
[2,4-di(propan-2-yloxy)phenyl]methanol
CID 12071268
N-[[2,4-di(butan-2-yloxy)phenyl]methyl]butan-1-amine
CID 54804883
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
1-[[(4-methoxy-2-propan-2-yloxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 111114436
3-(ethylaminomethyl)-6-(4-propan-2-yloxyphenyl)-1H-pyridin-2-one
CID 82517876
N-[(6-methyl-4-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 81253720
N-[[2,4-di(butan-2-yloxy)phenyl]methyl]hexan-1-amine
CID 54805292
N-[[2-(2-propan-2-yloxyethoxy)-4-propoxyphenyl]methyl]ethanamine
CID 61485072
2-methyl-N-[(2-propan-2-yloxy-4-propoxyphenyl)methyl]propan-2-amine
CID 63061975
(4-methoxy-2-propan-2-yloxyphenyl)methanol
CID 61267391
1-[2-(ethylaminomethyl)-5-propoxyphenoxy]propan-2-ol
CID 60887844

Frequently Asked Questions

What is the IUPAC name of N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine (CID 54804735) is N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine is CCNCc1ccc(OC(C)C)cc1OC(C)C.
What is the InChIKey of N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine?
The InChIKey is FLJQVBKOEMQKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-16-10-13-7-8-14(17-11(2)3)9-15(13)18-12(4)5/h7-9,11-12,16H,6,10H2,1-5H3.
What are the key properties of N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine?
N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,4-di(propan-2-yloxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54804735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).