N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C15H25Cl3N2O2 — CID 6457097

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCOc1ccc(Cl)cc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2O2.2ClH/c1-19-15-4-3-14(16)11-13(15)12-17-5-2-6-18-7-9-20-10-8-18;;/h3-4,11,17H,2,5-10,12H2,1H3;2*1H
InChIKeyGNWSTHXMKHTDIZ-UHFFFAOYSA-N
MW371.74 g/mol
LogP3.00
Rot. Bonds7

About N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 6457097) has the molecular formula C15H25Cl3N2O2 and a molecular weight of 371.74 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID6457097
Molecular FormulaC15H25Cl3N2O2
Molecular Weight371.74 g/mol
Exact Mass370.10
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCOc1ccc(Cl)cc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H23ClN2O2.2ClH/c1-19-15-4-3-14(16)11-13(15)12-17-5-2-6-18-7-9-20-10-8-18;;/h3-4,11,17H,2,5-10,12H2,1H3;2*1H
InChIKeyGNWSTHXMKHTDIZ-UHFFFAOYSA-N
XLogP3.00
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.74
LogP ≤ 53.00
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-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 65316209
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289346
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289446
3-[(5-chloro-2-methoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115585143
N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722023
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 6457097) is N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is COc1ccc(Cl)cc1CNCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is GNWSTHXMKHTDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2.2ClH/c1-19-15-4-3-14(16)11-13(15)12-17-5-2-6-18-7-9-20-10-8-18;;/h3-4,11,17H,2,5-10,12H2,1H3;2*1H.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 371.74 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 6457097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).