N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine

C14H23NO3 — CID 2280828

IUPACN-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
SMILESCOc1ccc(OCCOCCNC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-12(2)15-8-9-17-10-11-18-14-6-4-13(16-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyYCNDDZJWDFAKPI-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.09
Rot. Bonds9

About N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 2280828) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
PubChem CID2280828
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
SMILESCOc1ccc(OCCOCCNC(C)C)cc1
InChIInChI=1S/C14H23NO3/c1-12(2)15-8-9-17-10-11-18-14-6-4-13(16-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3
InChIKeyYCNDDZJWDFAKPI-UHFFFAOYSA-N
XLogP2.09
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(4-propan-2-ylphenoxy)ethoxy]ethyl]propan-2-amine
CID 2276712
N-[2-(3-phenoxypropoxy)ethyl]propan-2-amine
CID 62937312
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1-(4-methoxyphenyl)ethanamine
CID 104562502
(1S)-N-[2-(2-methoxyethoxy)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81370691
N-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280848
1-[(2R)-butan-2-yl]-4-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzene
CID 2282958
N-propan-2-yl-4-[2-(propan-2-ylamino)ethoxy]aniline
CID 176845634
N-[2-(4-methoxyphenoxy)ethyl]but-3-yn-2-amine
CID 114416566
1-iodo-N-[2-(4-methoxyphenoxy)ethyl]-3-methylbutan-2-amine
CID 107859425
N-[2-[4-(2-methoxyethyl)phenoxy]ethyl]propan-2-amine
CID 14694037

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine (CID 2280828) is N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine is COc1ccc(OCCOCCNC(C)C)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is YCNDDZJWDFAKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-12(2)15-8-9-17-10-11-18-14-6-4-13(16-3)5-7-14/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 253.34 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 2280828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).