[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

C14H22Cl2N2O2 — CID 171625171

IUPAC[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1CN1CCO[C@@H](CN)C1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-2-18-14-4-3-12(15)7-11(14)9-17-5-6-19-13(8-16)10-17;/h3-4,7,13H,2,5-6,8-10,16H2,1H3;1H/t13-;/m0./s1
InChIKeyKMVJQWCYUFJMCK-ZOWNYOTGSA-N
MW321.25 g/mol
LogP2.32
Rot. Bonds5

About [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride

[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (PubChem CID 171625171) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
PubChem CID171625171
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
SMILESCCOc1ccc(Cl)cc1CN1CCO[C@@H](CN)C1.Cl
InChIInChI=1S/C14H21ClN2O2.ClH/c1-2-18-14-4-3-12(15)7-11(14)9-17-5-6-19-13(8-16)10-17;/h3-4,7,13H,2,5-6,8-10,16H2,1H3;1H/t13-;/m0./s1
InChIKeyKMVJQWCYUFJMCK-ZOWNYOTGSA-N
XLogP2.32
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(5-chloro-2-prop-2-enoxyphenyl)methyl]morpholin-2-yl]methanamine;dihydrochloride
CID 154887461
[4-[(4-chloro-2-fluorophenyl)methyl]morpholin-2-yl]methanamine;hydrochloride
CID 120844387
(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 171624938
[4-[(4-ethoxy-3-fluorophenyl)methyl]morpholin-2-yl]methanamine
CID 120844436
[4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 114393379
[(3S)-1-[(5-chloro-2-ethoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 171625000
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
[1-[(2-butoxy-5-chlorophenyl)methyl]pyrrolidin-3-yl]methanamine;ethane
CID 171625215
[4-[(2,3,4-trimethoxyphenyl)methyl]morpholin-2-yl]methanamine
CID 114393343
2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane
CID 11338828

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The IUPAC name of [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride (CID 171625171) is [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is CCOc1ccc(Cl)cc1CN1CCO[C@@H](CN)C1.Cl.
What is the InChIKey of [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
The InChIKey is KMVJQWCYUFJMCK-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-2-18-14-4-3-12(15)7-11(14)9-17-5-6-19-13(8-16)10-17;/h3-4,7,13H,2,5-6,8-10,16H2,1H3;1H/t13-;/m0./s1.
What are the key properties of [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride?
[(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride has a molecular weight of 321.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[(5-chloro-2-ethoxyphenyl)methyl]morpholin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 171625171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).