N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine

C14H20Cl2N2O — CID 65316209

IUPACN-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1ccc(Cl)c(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H20Cl2N2O/c15-13-2-3-14(16)12(10-13)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2
InChIKeyNDJWUMOCQAXGER-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.81
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 65316209) has the molecular formula C14H20Cl2N2O and a molecular weight of 303.23 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID65316209
Molecular FormulaC14H20Cl2N2O
Molecular Weight303.23 g/mol
Exact Mass302.10
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESClc1ccc(Cl)c(CNCCCN2CCOCC2)c1
InChIInChI=1S/C14H20Cl2N2O/c15-13-2-3-14(16)12(10-13)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2
InChIKeyNDJWUMOCQAXGER-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
N-[(5-chloro-2-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;hydrochloride
CID 11958772
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
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289446
N-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115761559
N-[(2-chloro-5-fluorophenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 102615682
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
2,6-dichloro-4-[(3-morpholin-4-ylpropylamino)methyl]benzaldehyde
CID 123206996
N-[[2-chloro-4-[(3-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 66538087
N-[(5-chlorothiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672980

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 65316209) is N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is Clc1ccc(Cl)c(CNCCCN2CCOCC2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is NDJWUMOCQAXGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O/c15-13-2-3-14(16)12(10-13)11-17-4-1-5-18-6-8-19-9-7-18/h2-3,10,17H,1,4-9,11H2.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 303.23 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 65316209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).