3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine

C10H21ClN2O — CID 114526695

IUPAC3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCOC(CCl)C1
InChIInChI=1S/C10H21ClN2O/c1-12(2)4-3-5-13-6-7-14-10(8-11)9-13/h10H,3-9H2,1-2H3
InChIKeyQVWITALCMOUTGE-UHFFFAOYSA-N
MW220.74 g/mol
LogP0.88
Rot. Bonds5

About 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine

3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine (PubChem CID 114526695) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
PubChem CID114526695
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCN1CCOC(CCl)C1
InChIInChI=1S/C10H21ClN2O/c1-12(2)4-3-5-13-6-7-14-10(8-11)9-13/h10H,3-9H2,1-2H3
InChIKeyQVWITALCMOUTGE-UHFFFAOYSA-N
XLogP0.88
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-pentylmorpholine
CID 81213679
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
2-(chloromethyl)-4-(3-ethylsulfonylpropyl)morpholine
CID 81214049
2-(chloromethyl)-4-(2-methoxyethyl)morpholine
CID 71380067
3-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831936
3-[2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylpropan-1-amine
CID 157048783
N-methyl-N-propan-2-yl-3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propan-1-amine
CID 168856384
N-[(4-butylmorpholin-2-yl)methyl]-N-methylethanamine
CID 164557510
2-(chloromethyl)-4-[2-(1-methylpyrazol-4-yl)ethyl]morpholine
CID 103015288
3-[3-(2-chloroethyl)pyrrolidin-1-yl]-N,N-dimethylpropan-1-amine
CID 114800653
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
N,2-dimethyl-N-[3-[(2S)-2-[(propan-2-ylamino)methyl]morpholin-4-yl]propyl]propan-1-amine
CID 161322486

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine (CID 114526695) is 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCN1CCOC(CCl)C1.
What is the InChIKey of 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is QVWITALCMOUTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O/c1-12(2)4-3-5-13-6-7-14-10(8-11)9-13/h10H,3-9H2,1-2H3.
What are the key properties of 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine?
3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 220.74 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)morpholin-4-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 114526695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).