[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol

C17H21NO3 — CID 61229719

IUPAC[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
SMILESNCCc1ccc(OCCOc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H21NO3/c18-10-9-14-1-5-16(6-2-14)20-11-12-21-17-7-3-15(13-19)4-8-17/h1-8,19H,9-13,18H2
InChIKeyXHMQWKCCQZICJX-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.14
Rot. Bonds8

About [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol

[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol (PubChem CID 61229719) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
PubChem CID61229719
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
SMILESNCCc1ccc(OCCOc2ccc(CO)cc2)cc1
InChIInChI=1S/C17H21NO3/c18-10-9-14-1-5-16(6-2-14)20-11-12-21-17-7-3-15(13-19)4-8-17/h1-8,19H,9-13,18H2
InChIKeyXHMQWKCCQZICJX-UHFFFAOYSA-N
XLogP2.14
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
2-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
[4-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
CID 102040147
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
2-[4-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanamine
CID 152682360
5-[4-(2-aminoethyl)phenoxy]pentanamide
CID 114281504
2-[4-[2-(2-phenylethoxy)ethoxy]phenyl]ethanamine
CID 43254415
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
2-[4-[2-(4-nitrophenoxy)ethoxy]phenyl]ethanamine
CID 142384195
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603

Frequently Asked Questions

What is the IUPAC name of [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol (CID 61229719) is [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol is NCCc1ccc(OCCOc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol?
The InChIKey is XHMQWKCCQZICJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c18-10-9-14-1-5-16(6-2-14)20-11-12-21-17-7-3-15(13-19)4-8-17/h1-8,19H,9-13,18H2.
What are the key properties of [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol?
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol is sourced from PubChem (CID 61229719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).