N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C17H25NO — CID 43204161

IUPACN-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO/c1-11-4-9-16(19-3)15(10-11)12(2)18-17(13-5-6-13)14-7-8-14/h4,9-10,12-14,17-18H,5-8H2,1-3H3
InChIKeyFMLNCWNPFDYNAB-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds6

About N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 43204161) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID43204161
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCOc1ccc(C)cc1C(C)NC(C1CC1)C1CC1
InChIInChI=1S/C17H25NO/c1-11-4-9-16(19-3)15(10-11)12(2)18-17(13-5-6-13)14-7-8-14/h4,9-10,12-14,17-18H,5-8H2,1-3H3
InChIKeyFMLNCWNPFDYNAB-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 83155274
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
(1R)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405947
(1S)-N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81404842
1-ethylsulfonyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-2-amine
CID 115889898
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]cyclobutanecarboxamide
CID 9262346
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 43204161) is N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is COc1ccc(C)cc1C(C)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is FMLNCWNPFDYNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-4-9-16(19-3)15(10-11)12(2)18-17(13-5-6-13)14-7-8-14/h4,9-10,12-14,17-18H,5-8H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 43204161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).