4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine

C12H26Cl2N2O — CID 22403187

IUPAC4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
SMILESCC(CCl)CN(C)C.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.C6H14ClN/c7-1-2-8-3-5-9-6-4-8;1-6(4-7)5-8(2)3/h1-6H2;6H,4-5H2,1-3H3
InChIKeyNPZHQSUFDYYQGA-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.98
Rot. Bonds5

About 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine

4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine (PubChem CID 22403187) has the molecular formula C12H26Cl2N2O and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
PubChem CID22403187
Molecular FormulaC12H26Cl2N2O
Molecular Weight285.26 g/mol
Exact Mass284.14
IUPAC Name4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine
SMILESCC(CCl)CN(C)C.ClCCN1CCOCC1
InChIInChI=1S/C6H12ClNO.C6H14ClN/c7-1-2-8-3-5-9-6-4-8;1-6(4-7)5-8(2)3/h1-6H2;6H,4-5H2,1-3H3
InChIKeyNPZHQSUFDYYQGA-UHFFFAOYSA-N
XLogP1.98
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.98
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

4-(2-chloroethyl)morpholine;N,N-dimethylformamide;hydrochloride
CID 87292423
4-(4-methylpentyl)morpholine;N,N,2-trimethylpropan-1-amine
CID 142615810
4-(2-chloroethyl)morpholine;1-(2-chloroethyl)piperidine
CID 174525711
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
4-(2-chloroethyl)-2,2-dideuteriomorpholine
CID 162705481
N,N-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine
CID 176932414
4-[(3S)-3-methylpentyl]morpholine
CID 167092878
2-N-methyl-2-N-(2-morpholin-4-ylethyl)propane-1,2-diamine;dihydrochloride
CID 119924809
4-[2-[4-(2-methylpropyl)piperazin-1-yl]ethyl]morpholine
CID 91228276
N,N-dimethyl-1-(2-morpholin-4-ylethoxy)ethanamine
CID 123734761
4-(chloromethyl)morpholine;hydrate
CID 175868958
4-morpholin-4-yl-N,N-di(propan-2-yl)butan-2-amine
CID 174780048

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine?
The IUPAC name of 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine (CID 22403187) is 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine.
What is the SMILES notation for 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine?
The canonical SMILES for 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine is CC(CCl)CN(C)C.ClCCN1CCOCC1.
What is the InChIKey of 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine?
The InChIKey is NPZHQSUFDYYQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO.C6H14ClN/c7-1-2-8-3-5-9-6-4-8;1-6(4-7)5-8(2)3/h1-6H2;6H,4-5H2,1-3H3.
What are the key properties of 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine?
4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine has a molecular weight of 285.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)morpholine;3-chloro-N,N,2-trimethylpropan-1-amine is sourced from PubChem (CID 22403187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).