N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

C18H27NO — CID 43694688

IUPACN-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H27NO/c1-12(2)20-17-6-4-5-16(11-17)13(3)19-18(14-7-8-14)15-9-10-15/h4-6,11-15,18-19H,7-10H2,1-3H3
InChIKeyREFFUMWRYKGMLH-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.31
Rot. Bonds7

About N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine

N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (PubChem CID 43694688) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
PubChem CID43694688
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1cccc(C(C)NC(C2CC2)C2CC2)c1
InChIInChI=1S/C18H27NO/c1-12(2)20-17-6-4-5-16(11-17)13(3)19-18(14-7-8-14)15-9-10-15/h4-6,11-15,18-19H,7-10H2,1-3H3
InChIKeyREFFUMWRYKGMLH-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
N-[1-(3-propan-2-yloxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79537731
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 103258095
2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 64762616
N-(oxolan-3-ylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694691
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
2-(1-cyclopropylethylamino)-1-(3-propan-2-yloxyphenyl)ethanol
CID 111755622
cyclooctyl-(3-propan-2-yloxyphenyl)methanol
CID 80604146
(2R)-N-(methylcarbamoyl)-2-[[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]amino]propanamide
CID 94641410
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine (CID 43694688) is N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1cccc(C(C)NC(C2CC2)C2CC2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
The InChIKey is REFFUMWRYKGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(2)20-17-6-4-5-16(11-17)13(3)19-18(14-7-8-14)15-9-10-15/h4-6,11-15,18-19H,7-10H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine?
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43694688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).