[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride

C15H23Cl3N2O2 — CID 154887461

IUPAC[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
SMILESC=CCOc1ccc(Cl)cc1CN1CCOC(CN)C1.Cl.Cl
InChIInChI=1S/C15H21ClN2O2.2ClH/c1-2-6-20-15-4-3-13(16)8-12(15)10-18-5-7-19-14(9-17)11-18;;/h2-4,8,14H,1,5-7,9-11,17H2;2*1H
InChIKeyWWQDWQXATUMDCX-UHFFFAOYSA-N
MW369.72 g/mol
LogP2.91
Rot. Bonds6

About [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride

[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride (PubChem CID 154887461) has the molecular formula C15H23Cl3N2O2 and a molecular weight of 369.72 g/mol. Its IUPAC name is [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
PubChem CID154887461
Molecular FormulaC15H23Cl3N2O2
Molecular Weight369.72 g/mol
Exact Mass368.08
IUPAC Name[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
SMILESC=CCOc1ccc(Cl)cc1CN1CCOC(CN)C1.Cl.Cl
InChIInChI=1S/C15H21ClN2O2.2ClH/c1-2-6-20-15-4-3-13(16)8-12(15)10-18-5-7-19-14(9-17)11-18;;/h2-4,8,14H,1,5-7,9-11,17H2;2*1H
InChIKeyWWQDWQXATUMDCX-UHFFFAOYSA-N
XLogP2.91
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 171625171
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
2-[(5-chloro-2-prop-2-enoxyphenyl)methyl]oxirane
CID 177441879
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
2-[4-chloro-2-[[2-(trifluoromethyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 56881232
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride (CID 154887461) is [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride is C=CCOc1ccc(Cl)cc1CN1CCOC(CN)C1.Cl.Cl.
What is the InChIKey of [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride?
The InChIKey is WWQDWQXATUMDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.2ClH/c1-2-6-20-15-4-3-13(16)8-12(15)10-18-5-7-19-14(9-17)11-18;;/h2-4,8,14H,1,5-7,9-11,17H2;2*1H.
What are the key properties of [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride?
[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride has a molecular weight of 369.72 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 154887461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).