3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine

C12H25ClN2O — CID 115363535

IUPAC3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCCN1CCOC(CNCC(C)(C)CCl)C1
InChIInChI=1S/C12H25ClN2O/c1-4-15-5-6-16-11(8-15)7-14-10-12(2,3)9-13/h11,14H,4-10H2,1-3H3
InChIKeyYMOYQWALBORPDV-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.56
Rot. Bonds6

About 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine

3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine (PubChem CID 115363535) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
PubChem CID115363535
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
SMILESCCN1CCOC(CNCC(C)(C)CCl)C1
InChIInChI=1S/C12H25ClN2O/c1-4-15-5-6-16-11(8-15)7-14-10-12(2,3)9-13/h11,14H,4-10H2,1-3H3
InChIKeyYMOYQWALBORPDV-UHFFFAOYSA-N
XLogP1.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-2-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]butan-1-amine
CID 114164317
2-[[(4-ethylmorpholin-2-yl)methylamino]methyl]-2-methylpropane-1,3-diol
CID 114399765
N-[1-[(4-ethylmorpholin-2-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79165106
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
N-[(4-ethylmorpholin-2-yl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 103033653
2-tert-butylsulfonyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 103710582
N-[(4-ethylmorpholin-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526746
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
2-cyclohexyl-N-[(4-ethylmorpholin-2-yl)methyl]ethanamine
CID 79163993
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
N-[(4-ethylmorpholin-2-yl)methyl]-2-ethylsulfanylethanamine
CID 114399810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine (CID 115363535) is 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine is CCN1CCOC(CNCC(C)(C)CCl)C1.
What is the InChIKey of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
The InChIKey is YMOYQWALBORPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O/c1-4-15-5-6-16-11(8-15)7-14-10-12(2,3)9-13/h11,14H,4-10H2,1-3H3.
What are the key properties of 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine?
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine has a molecular weight of 248.80 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115363535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).