1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol

C15H24ClNO3 — CID 62910072

IUPAC1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
SMILESCOCCCN(CCOC)c1ccc(C(C)O)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-12(18)13-5-6-15(14(16)11-13)17(8-10-20-3)7-4-9-19-2/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyNSYQZGODTZWVPI-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.88
Rot. Bonds9

About 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol

1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol (PubChem CID 62910072) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
PubChem CID62910072
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
SMILESCOCCCN(CCOC)c1ccc(C(C)O)cc1Cl
InChIInChI=1S/C15H24ClNO3/c1-12(18)13-5-6-15(14(16)11-13)17(8-10-20-3)7-4-9-19-2/h5-6,11-12,18H,4,7-10H2,1-3H3
InChIKeyNSYQZGODTZWVPI-UHFFFAOYSA-N
XLogP2.88
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[3-chloro-4-[3-methoxypropyl(methyl)amino]phenyl]ethanol
CID 55184861
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
1-[3-chloro-4-[2-methoxyethyl(propan-2-yl)amino]phenyl]ethanol
CID 82950972
4-[(1S)-1-aminoethyl]-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 55189591
(1R)-1-[4-[bis(2-methoxyethyl)amino]-3-fluorophenyl]ethanol
CID 63371146
(1S)-1-[3-chloro-4-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 55184297
1-[3-bromo-4-[2-hydroxyethyl(2-methoxyethyl)amino]phenyl]ethanol
CID 113467856
(1R)-1-[3-chloro-4-[2-(dimethylamino)ethyl-propylamino]phenyl]ethanol
CID 78940818
(1S)-1-[3-chloro-4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 78939886
1-[3-bromo-4-[2-methoxyethyl(2-methylpropyl)amino]phenyl]ethanol
CID 62908872
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol (CID 62910072) is 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol is COCCCN(CCOC)c1ccc(C(C)O)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol?
The InChIKey is NSYQZGODTZWVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-12(18)13-5-6-15(14(16)11-13)17(8-10-20-3)7-4-9-19-2/h5-6,11-12,18H,4,7-10H2,1-3H3.
What are the key properties of 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol?
1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol has a molecular weight of 301.81 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol is sourced from PubChem (CID 62910072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).