N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine

C20H27NO2 — CID 92927976

IUPACN-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-4-21-15-18-7-5-6-8-20(18)23-14-13-22-19-11-9-17(10-12-19)16(2)3/h5-12,16,21H,4,13-15H2,1-3H3
InChIKeyUUNRCHYVGGBLBC-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.38
Rot. Bonds9

About N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine

N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine (PubChem CID 92927976) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
PubChem CID92927976
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC NameN-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1OCCOc1ccc(C(C)C)cc1
InChIInChI=1S/C20H27NO2/c1-4-21-15-18-7-5-6-8-20(18)23-14-13-22-19-11-9-17(10-12-19)16(2)3/h5-12,16,21H,4,13-15H2,1-3H3
InChIKeyUUNRCHYVGGBLBC-UHFFFAOYSA-N
XLogP4.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]ethanamine
CID 55073215
N-[[2-[2-[(6-methyl-3-pyridinyl)oxy]ethoxy]phenyl]methyl]ethanamine
CID 62440305
N-[[2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 113223004
N-[[2-[2-(2-methylphenoxy)ethoxy]phenyl]methyl]ethanamine
CID 62453952
N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881
N-[2-[2-(ethylaminomethyl)phenoxy]ethyl]-N,2-dimethylpropan-1-amine
CID 62420920
3-[2-(ethylaminomethyl)phenoxy]propanamide
CID 43277204
N-[(2-but-3-ynoxyphenyl)methyl]ethanamine
CID 60881032
N-[[3-(2-phenoxyethoxy)-4-pyridinyl]methyl]ethanamine
CID 105074999
2-[2-[2-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]ethoxy]phenyl]acetic acid
CID 68689364
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
N-[[2-(2-methylsulfonylethoxy)phenyl]methyl]ethanamine
CID 54936992

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine (CID 92927976) is N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine is CCNCc1ccccc1OCCOc1ccc(C(C)C)cc1.
What is the InChIKey of N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is UUNRCHYVGGBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-4-21-15-18-7-5-6-8-20(18)23-14-13-22-19-11-9-17(10-12-19)16(2)3/h5-12,16,21H,4,13-15H2,1-3H3.
What are the key properties of N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine?
N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 313.44 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 92927976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).