N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C18H29NO — CID 115853735

IUPACN-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO/c1-7-19-15(16-17(3,4)18(16,5)6)13-11-9-10-12-14(13)20-8-2/h9-12,15-16,19H,7-8H2,1-6H3
InChIKeyNKFMCJKXHREKLY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.42
Rot. Bonds6

About N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 115853735) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID115853735
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO/c1-7-19-15(16-17(3,4)18(16,5)6)13-11-9-10-12-14(13)20-8-2/h9-12,15-16,19H,7-8H2,1-6H3
InChIKeyNKFMCJKXHREKLY-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
1-(2-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 62802882
1-(2-ethoxyphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492567
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
N-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 115853735) is N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1ccccc1OCC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is NKFMCJKXHREKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-7-19-15(16-17(3,4)18(16,5)6)13-11-9-10-12-14(13)20-8-2/h9-12,15-16,19H,7-8H2,1-6H3.
What are the key properties of N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 115853735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).