N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C15H22Cl2N2O2 — CID 29241589

IUPACN-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCOc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-20-15-13(16)9-12(10-14(15)17)11-18-3-2-4-19-5-7-21-8-6-19/h9-10,18H,2-8,11H2,1H3
InChIKeyXBZMTCNVWLJFLP-UHFFFAOYSA-N
MW333.26 g/mol
LogP2.81
Rot. Bonds7

About N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 29241589) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID29241589
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC NameN-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCOc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-20-15-13(16)9-12(10-14(15)17)11-18-3-2-4-19-5-7-21-8-6-19/h9-10,18H,2-8,11H2,1H3
InChIKeyXBZMTCNVWLJFLP-UHFFFAOYSA-N
XLogP2.81
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 52.81
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-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
CID 123206996
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17055552
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17159852
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(3-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 2991571
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4722106
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473298
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
N-[(3-bromo-4-butoxy-5-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 7315144
3-morpholin-4-yl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine;dihydrochloride
CID 6457021

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 29241589) is N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is COc1c(Cl)cc(CNCCCN2CCOCC2)cc1Cl.
What is the InChIKey of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is XBZMTCNVWLJFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-20-15-13(16)9-12(10-14(15)17)11-18-3-2-4-19-5-7-21-8-6-19/h9-10,18H,2-8,11H2,1H3.
What are the key properties of N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 333.26 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 29241589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).