N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

C18H31NO — CID 63475624

IUPACN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H31NO/c1-8-9-19-16(12-20-18(5,6)7)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,8-9,12H2,1-7H3
InChIKeyLGASTLFGQINZCK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.47
Rot. Bonds6

About N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine

N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (PubChem CID 63475624) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
PubChem CID63475624
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
SMILESCCCNC(COC(C)(C)C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H31NO/c1-8-9-19-16(12-20-18(5,6)7)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,8-9,12H2,1-7H3
InChIKeyLGASTLFGQINZCK-UHFFFAOYSA-N
XLogP4.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3064624
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CID 43220287
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CID 46956014
CID 46956014
CID 92558690
CID 92558690
CID 24271716
CID 24271716
CID 86317103
CID 86317103
CID 28425716
CID 28425716
CID 11084731
CID 11084731
CID 13571323
CID 13571323
CID 21994380
CID 21994380

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine (CID 63475624) is N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is CCCNC(COC(C)(C)C)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
The InChIKey is LGASTLFGQINZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-8-9-19-16(12-20-18(5,6)7)17-14(3)10-13(2)11-15(17)4/h10-11,16,19H,8-9,12H2,1-7H3.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine?
N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]-1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 63475624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).