3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine

C9H19ClN2O — CID 79181889

IUPAC3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCN1CCOC(CNCCCCl)C1
InChIInChI=1S/C9H19ClN2O/c1-12-5-6-13-9(8-12)7-11-4-2-3-10/h9,11H,2-8H2,1H3
InChIKeyZFBRQUHXFBAGRV-UHFFFAOYSA-N
MW206.72 g/mol
LogP0.54
Rot. Bonds5

About 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine

3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79181889) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79181889
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
SMILESCN1CCOC(CNCCCCl)C1
InChIInChI=1S/C9H19ClN2O/c1-12-5-6-13-9(8-12)7-11-4-2-3-10/h9,11H,2-8H2,1H3
InChIKeyZFBRQUHXFBAGRV-UHFFFAOYSA-N
XLogP0.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 79038222
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
N'-hydroxy-4-[(4-methylmorpholin-2-yl)methylamino]butanimidamide
CID 79072308
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
N-[2-[(4-methylmorpholin-2-yl)methylamino]ethyl]methanesulfonamide
CID 78950380
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
4-[3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propoxy]benzonitrile
CID 95979245
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
2-[2-[(4-methylmorpholin-2-yl)methylamino]ethoxy]ethanol
CID 78998731
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-[(2R)-oxan-2-yl]methanamine
CID 129432103

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine (CID 79181889) is 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine is CN1CCOC(CNCCCCl)C1.
What is the InChIKey of 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is ZFBRQUHXFBAGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClN2O/c1-12-5-6-13-9(8-12)7-11-4-2-3-10/h9,11H,2-8H2,1H3.
What are the key properties of 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine?
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 206.72 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79181889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).