N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine

C17H27NO — CID 54932052

IUPACN-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCCC1CCCC1
InChIInChI=1S/C17H27NO/c1-3-19-17-11-7-6-10-16(17)14(2)18-13-12-15-8-4-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyQDVSHDJUIUMTRD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.32
Rot. Bonds7

About N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine

N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine (PubChem CID 54932052) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
PubChem CID54932052
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
SMILESCCOc1ccccc1C(C)NCCC1CCCC1
InChIInChI=1S/C17H27NO/c1-3-19-17-11-7-6-10-16(17)14(2)18-13-12-15-8-4-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3
InChIKeyQDVSHDJUIUMTRD-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylethyl)-1-(2-methoxyphenyl)ethanamine
CID 54931731
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
2-[1-(2-cyclohexylethylamino)ethyl]phenol
CID 54931684
1-(2-chlorophenyl)-N-(2-cyclopentylethyl)ethanamine
CID 55191954
(1R)-1-(2-bromophenyl)-N-(2-cyclohexylethyl)ethanamine
CID 81378704
[3-cyclohexyl-1-(2-ethoxyphenyl)propyl]hydrazine
CID 105304395
N-(cyclohexylmethyl)-1-(2-heptoxyphenyl)ethanamine
CID 54804382
N-[1-(2-ethoxyphenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460376
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-[2-(cyclopropylmethoxymethoxy)phenyl]ethyl]propan-1-amine
CID 106929162
1-(2-ethoxyphenyl)-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416791
N-[1-(2-ethoxyphenyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43194057

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine?
The IUPAC name of N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine (CID 54932052) is N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine.
What is the SMILES notation for N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine?
The canonical SMILES for N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine is CCOc1ccccc1C(C)NCCC1CCCC1.
What is the InChIKey of N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine?
The InChIKey is QDVSHDJUIUMTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-19-17-11-7-6-10-16(17)14(2)18-13-12-15-8-4-5-9-15/h6-7,10-11,14-15,18H,3-5,8-9,12-13H2,1-2H3.
What are the key properties of N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine?
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine is sourced from PubChem (CID 54932052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).