N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

C20H27Cl3N2O2 — CID 17159776

IUPACN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.Clc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25ClN2O2.2ClH/c21-19-14-18(15-22-8-9-23-10-12-24-13-11-23)6-7-20(19)25-16-17-4-2-1-3-5-17;;/h1-7,14,22H,8-13,15-16H2;2*1H
InChIKeyILRKGOCTLJVJGH-UHFFFAOYSA-N
MW433.81 g/mol
LogP4.18
Rot. Bonds8

About N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 17159776) has the molecular formula C20H27Cl3N2O2 and a molecular weight of 433.81 g/mol. Its IUPAC name is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID17159776
Molecular FormulaC20H27Cl3N2O2
Molecular Weight433.81 g/mol
Exact Mass432.11
IUPAC NameN-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCl.Cl.Clc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1
InChIInChI=1S/C20H25ClN2O2.2ClH/c21-19-14-18(15-22-8-9-23-10-12-24-13-11-23)6-7-20(19)25-16-17-4-2-1-3-5-17;;/h1-7,14,22H,8-13,15-16H2;2*1H
InChIKeyILRKGOCTLJVJGH-UHFFFAOYSA-N
XLogP4.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.81
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 17159849
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159778
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
CID 17294777
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17157638
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
N-[[3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295333
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537718
4-[[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-2,2-dimethylbutanoic acid
CID 122127082

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 17159776) is N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is Cl.Cl.Clc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is ILRKGOCTLJVJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2.2ClH/c21-19-14-18(15-22-8-9-23-10-12-24-13-11-23)6-7-20(19)25-16-17-4-2-1-3-5-17;;/h1-7,14,22H,8-13,15-16H2;2*1H.
What are the key properties of N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 433.81 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 17159776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).