N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine

C16H26N2O — CID 43266888

IUPACN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
SMILESCN(CCOc1ccc(CCN)cc1)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(15-4-2-3-5-15)12-13-19-16-8-6-14(7-9-16)10-11-17/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyKGWXCQIRJPGLCS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds7

About N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine (PubChem CID 43266888) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine.

Molecular Properties

Compound NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
PubChem CID43266888
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
SMILESCN(CCOc1ccc(CCN)cc1)C1CCCC1
InChIInChI=1S/C16H26N2O/c1-18(15-4-2-3-5-15)12-13-19-16-8-6-14(7-9-16)10-11-17/h6-9,15H,2-5,10-13,17H2,1H3
InChIKeyKGWXCQIRJPGLCS-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
CID 43253521
N-[2-(4-aminophenoxy)ethyl]-N-methylcyclooctanamine
CID 89350544
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
CID 62860390
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopropanamine
CID 43264634
2-[4-[2-[cyclopentyl(methyl)amino]ethoxy]phenyl]ethanethioamide
CID 43290625
2-[4-[2-[cyclohexyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 43288697
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclobutanamine
CID 115666053
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
4-[2-[cyclopentyl(methyl)amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 61299834
4-[2-[cyclopentyl(methyl)amino]ethyl]aniline
CID 43267271
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-propylpropan-1-amine
CID 43253445

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine?
The IUPAC name of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine (CID 43266888) is N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine.
What is the SMILES notation for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine?
The canonical SMILES for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine is CN(CCOc1ccc(CCN)cc1)C1CCCC1.
What is the InChIKey of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine?
The InChIKey is KGWXCQIRJPGLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(15-4-2-3-5-15)12-13-19-16-8-6-14(7-9-16)10-11-17/h6-9,15H,2-5,10-13,17H2,1H3.
What are the key properties of N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine?
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine is sourced from PubChem (CID 43266888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).