[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol

C15H23ClN2O3 — CID 114852870

IUPAC[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
SMILESCOCCNCc1ccc(Cl)cc1N1CCOC(CO)C1
InChIInChI=1S/C15H23ClN2O3/c1-20-6-4-17-9-12-2-3-13(16)8-15(12)18-5-7-21-14(10-18)11-19/h2-3,8,14,17,19H,4-7,9-11H2,1H3
InChIKeyOXUUAMRMXOYGHQ-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.27
Rot. Bonds7

About [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol

[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol (PubChem CID 114852870) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
PubChem CID114852870
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
SMILESCOCCNCc1ccc(Cl)cc1N1CCOC(CO)C1
InChIInChI=1S/C15H23ClN2O3/c1-20-6-4-17-9-12-2-3-13(16)8-15(12)18-5-7-21-14(10-18)11-19/h2-3,8,14,17,19H,4-7,9-11H2,1H3
InChIKeyOXUUAMRMXOYGHQ-UHFFFAOYSA-N
XLogP1.27
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869
N-[[4-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114851246
1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
CID 114847553
N-[[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853476
N-[[2-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059146
N-[[4-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853448
[1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848738
N-[[2-chloro-6-(2-ethylmorpholin-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63058796
[4-[2-(ethylaminomethyl)phenyl]morpholin-2-yl]methanol
CID 81204640
N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658
4-[5-chloro-2-(chloromethyl)phenyl]-2-ethylmorpholine
CID 114846398
N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63070734

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol (CID 114852870) is [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol is COCCNCc1ccc(Cl)cc1N1CCOC(CO)C1.
What is the InChIKey of [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol?
The InChIKey is OXUUAMRMXOYGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-20-6-4-17-9-12-2-3-13(16)8-15(12)18-5-7-21-14(10-18)11-19/h2-3,8,14,17,19H,4-7,9-11H2,1H3.
What are the key properties of [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol?
[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol has a molecular weight of 314.81 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 114852870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).