1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine

C17H21NO2 — CID 115995673

IUPAC1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
SMILESCCOc1cccc(Oc2ccccc2C(N)CC)c1
InChIInChI=1S/C17H21NO2/c1-3-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19-4-2/h5-12,16H,3-4,18H2,1-2H3
InChIKeyKFPXOUHQKGOIGY-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.29
Rot. Bonds6

About 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine

1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine (PubChem CID 115995673) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
PubChem CID115995673
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine
SMILESCCOc1cccc(Oc2ccccc2C(N)CC)c1
InChIInChI=1S/C17H21NO2/c1-3-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19-4-2/h5-12,16H,3-4,18H2,1-2H3
InChIKeyKFPXOUHQKGOIGY-UHFFFAOYSA-N
XLogP4.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-(3-methoxyphenoxy)phenyl]propan-1-amine
CID 103739046
3-[2-[(1S)-1-aminopropyl]phenoxy]-N,N-dimethylaniline
CID 103959354
3-[2-[(1S)-1-aminopropyl]phenoxy]benzonitrile
CID 103959200
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 62337869
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
(1R)-1-[2-(3-bromo-4-fluorophenoxy)phenyl]propan-1-amine
CID 103959458

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine (CID 115995673) is 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine is CCOc1cccc(Oc2ccccc2C(N)CC)c1.
What is the InChIKey of 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine?
The InChIKey is KFPXOUHQKGOIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-16(18)15-10-5-6-11-17(15)20-14-9-7-8-13(12-14)19-4-2/h5-12,16H,3-4,18H2,1-2H3.
What are the key properties of 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine?
1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethoxyphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 115995673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).