[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol

C17H20ClNO3 — CID 111466184

IUPAC[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCCOCCOc2ccccc2)c1
InChIInChI=1S/C17H20ClNO3/c18-16-7-6-14(13-20)12-17(16)19-8-9-21-10-11-22-15-4-2-1-3-5-15/h1-7,12,19-20H,8-11,13H2
InChIKeyFMFPEGIDVSSTTO-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.34
Rot. Bonds9

About [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol

[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol (PubChem CID 111466184) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol
PubChem CID111466184
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol
SMILESOCc1ccc(Cl)c(NCCOCCOc2ccccc2)c1
InChIInChI=1S/C17H20ClNO3/c18-16-7-6-14(13-20)12-17(16)19-8-9-21-10-11-22-15-4-2-1-3-5-15/h1-7,12,19-20H,8-11,13H2
InChIKeyFMFPEGIDVSSTTO-UHFFFAOYSA-N
XLogP3.34
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.34
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

[3-bromo-4-(2-phenoxyethoxy)phenyl]methanol
CID 55146760
2,5-dichloro-4-methyl-N-(2-phenoxyethyl)aniline
CID 104726919
[3-(but-3-enylamino)-4-chlorophenyl]methanol
CID 111448182
2-(2-phenoxyethoxy)ethanol
CID 7715
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
1,4-bis(2-phenoxyethoxymethyl)benzene
CID 19801574
N-(cyclopropylmethyl)-2-(2-phenoxyethoxy)ethanamine
CID 55088293
2-chloro-N-(2-phenoxyethyl)-4-(trifluoromethyl)aniline
CID 63668109
2,4,5-trichloro-N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54797646

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol?
The IUPAC name of [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol (CID 111466184) is [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol.
What is the SMILES notation for [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol?
The canonical SMILES for [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol is OCc1ccc(Cl)c(NCCOCCOc2ccccc2)c1.
What is the InChIKey of [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol?
The InChIKey is FMFPEGIDVSSTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c18-16-7-6-14(13-20)12-17(16)19-8-9-21-10-11-22-15-4-2-1-3-5-15/h1-7,12,19-20H,8-11,13H2.
What are the key properties of [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol?
[4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol has a molecular weight of 321.80 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[2-(2-phenoxyethoxy)ethylamino]phenyl]methanol is sourced from PubChem (CID 111466184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).