1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

C16H25NO — CID 43734738

IUPAC1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCCOc1ccc(C(C)NC(C)C2(C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)12(2)17-13(3)16(4)10-11-16/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeySMLJIYIQJXVXNS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (PubChem CID 43734738) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
PubChem CID43734738
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCCOc1ccc(C(C)NC(C)C2(C)CC2)cc1
InChIInChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)12(2)17-13(3)16(4)10-11-16/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeySMLJIYIQJXVXNS-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 81370556
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
1-(4-ethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903167
N-[1-(4-ethoxyphenyl)ethyl]pentan-2-amine
CID 43191473
N-[1-(4-ethoxyphenyl)ethyl]-2-methylpentan-3-amine
CID 43788964
(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405399
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
CID 43173471
1-cyclopropyl-N-[1-(4-ethoxyphenyl)ethyl]propan-1-amine
CID 64918622
N-[1-(4-ethoxyphenyl)ethyl]-2,2-dimethylcyclopentan-1-amine
CID 79860500
N-[1-(4-ethoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80705379
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
N-[1-(4-ethoxyphenyl)ethyl]-4-methylsulfanylbutan-2-amine
CID 115722060

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (CID 43734738) is 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is CCOc1ccc(C(C)NC(C)C2(C)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The InChIKey is SMLJIYIQJXVXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-18-15-8-6-14(7-9-15)12(2)17-13(3)16(4)10-11-16/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is sourced from PubChem (CID 43734738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).