2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine

C19H25NO3 — CID 20986801

IUPAC2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCOc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NO3/c1-14-11-15(2)13-17(12-14)22-9-10-23-19-16(7-8-20)5-4-6-18(19)21-3/h4-6,11-13H,7-10,20H2,1-3H3
InChIKeyAVPQCBFLJBAONM-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.27
Rot. Bonds8

About 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine

2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine (PubChem CID 20986801) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
PubChem CID20986801
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cccc(CCN)c1OCCOc1cc(C)cc(C)c1
InChIInChI=1S/C19H25NO3/c1-14-11-15(2)13-17(12-14)22-9-10-23-19-16(7-8-20)5-4-6-18(19)21-3/h4-6,11-13H,7-10,20H2,1-3H3
InChIKeyAVPQCBFLJBAONM-UHFFFAOYSA-N
XLogP3.27
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.27
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

2-[3-methoxy-2-[2-(2-methoxyphenoxy)ethoxy]phenyl]ethanamine
CID 20993640
2-[3-methoxy-2-[2-(4-phenylphenoxy)ethoxy]phenyl]ethanamine
CID 22680824
2-[3-methoxy-2-[2-(4-propylphenoxy)ethoxy]phenyl]ethanamine
CID 22680814
2-[3-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104648792
2-[3-methoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935375
2-[2-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 61482172
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
(NE)-N-[[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42337499
2-[3-methoxy-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]ethanamine
CID 103013018
3-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 62627529
2-(3,5-dimethylphenoxy)ethyl 2-hydroxy-3-methoxybenzoate
CID 46805086
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine (CID 20986801) is 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine is COc1cccc(CCN)c1OCCOc1cc(C)cc(C)c1.
What is the InChIKey of 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is AVPQCBFLJBAONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-14-11-15(2)13-17(12-14)22-9-10-23-19-16(7-8-20)5-4-6-18(19)21-3/h4-6,11-13H,7-10,20H2,1-3H3.
What are the key properties of 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine?
2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 315.41 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-dimethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 20986801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).